Geometry & MOs

Info

ID:

190413

PubChem CID:

78001025

Reduced:

N3O3C38H45 (1)

Stoich.:

A3B3C38D45 (1)

Weight, g/mol:

577.30529

ΔHf, kcal/mol:

-90.4

Dipole, Da:

5.73

IP(EA), eV:

 -8.8(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[2-(dimethylamino)ethyl-ethylamino]ethyl]phenyl]-2-[3-(2-methoxyphenyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-3,5-dihydrobenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CCC(CC2)(C)C(=O)NC(C3=CC=CC=C3)C(=O)N4CCCC4)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations