Geometry & MOs

Info

ID:

26693

PubChem CID:

794626

Reduced:

N2O3C17H21 (1)

Stoich.:

A2B3C17D21 (1)

Weight, g/mol:

224.094963

ΔHf, kcal/mol:

-87.43

Dipole, Da:

4.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.982548

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)C[C@H](COC2=CC=C(C=C2)NC(=O)C)O

DOS

IR

Vibrations