Geometry & MOs

Info

ID:

194051

PubChem CID:

78472755

Reduced:

O2N3C15H22 (1)

Stoich.:

A2B3C15D22 (1)

Weight, g/mol:

320.197417

ΔHf, kcal/mol:

-22.72

Dipole, Da:

4.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755364

Charge, e:

 1

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-piperidin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NNC(=O)C[NH+]2CCOCC2)C

DOS

IR

Vibrations