Dipole Moment Calculation

Dipole moment (μ) is the measure of net molecular polarity, and describes the charge separation in a molecule, where electron density is shared unequally between atoms. Dipole Moment Calculation presents the overall dipole moment of a molecule as a vector expressed in the principal axis frame. The dipole moment information is deduced from the molecular geometry and partial charges. The unit of the dipole moment is Debye (D).

Input ports

1. Type: Table
   Data Input
   Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output ports

1. Type: Table
   Data Output
   Output table that contains dipole moment.