Dipole Moment Calculation

Manipulator

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

Output Ports

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

Extension

This node is part of the extension

ChemAxon/Infocom JChem Extensions Feature

v4.0.0

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