Lab #7 - Molecular Shape and Polarity

Lab #7 - Molecular Shape and Polarity - Results and...

Info icon This preview shows pages 1–2. Sign up to view the full content.

Results and Discussions: A hypothetical drug was built using the aid of the CAChe ® software program. The drug was built to fit the given receptor site. The drug was designed based on size and polarity. First, a few common molecules were built and examined using the software. Part A – NH 3 and NO 3 - NH 3 A molecule of ammonia was built. After fixing the geometry and beautifying the molecule, the bond lengths and angles were measured. Distance b/w N-H (Å) 1.02 Bond Angle H-N-H(º) 109.5 Distance b/w H-H (Å) 1.67 Next, the structure was optimized to determine that geometry for which the molecule or ion as a whole has the lowest energy. The bond lengths and bond angles were measured and recorded again. Distance b/w N-H(Å) 1.01 Bond Angle H-N-H(º) 107.1 Distance b/w H-H(Å) 1.63 The partial charge of each atom was also determined. Each H atom had the same charge. Atom Partial Charge N -0.738 H 0.246 NO 3 - The NO 3 - molecule was built next. The geometry was fixed and the bond lengths and angles were recorded.
Image of page 1

Info icon This preview has intentionally blurred sections. Sign up to view the full version.

Image of page 2
This is the end of the preview. Sign up to access the rest of the document.
  • Fall '05
  • Chemistry, Mole, Height, Molecule, partial charge, Å Atom Group

{[ snackBarMessage ]}

What students are saying

  • Left Quote Icon

    As a current student on this bumpy collegiate pathway, I stumbled upon Course Hero, where I can find study resources for nearly all my courses, get online help from tutors 24/7, and even share my old projects, papers, and lecture notes with other students.

    Student Picture

    Kiran Temple University Fox School of Business ‘17, Course Hero Intern

  • Left Quote Icon

    I cannot even describe how much Course Hero helped me this summer. It’s truly become something I can always rely on and help me. In the end, I was not only able to survive summer classes, but I was able to thrive thanks to Course Hero.

    Student Picture

    Dana University of Pennsylvania ‘17, Course Hero Intern

  • Left Quote Icon

    The ability to access any university’s resources through Course Hero proved invaluable in my case. I was behind on Tulane coursework and actually used UCLA’s materials to help me move forward and get everything together on time.

    Student Picture

    Jill Tulane University ‘16, Course Hero Intern