Marvin Provide Dipole Moment Value for Molecule

User 5508363905

18-02-2006 23:52:08

I'm a relatively new user with little to no programming expertise. I use the online version of Marvin primarily.

Does Marvin have a built-in method/plug-in to calculate the dipole moment for a molecule? If not, is there a way to calculate it from other values that are available?

User 851ac690a0

20-02-2006 12:02:18

Dear Carls,

If the geometry of a molecule and the partial charge distribution of atoms are available then you can calculate dipole moment.

We don't have a separate tool for this purpose.

(Both the partial charge and the 3D geometry of a molecule can be obtained from Marvin.)

In this reference ,from the slide 34th you will find details for calculating molecular dipole moment: