Geometry & MOs

Info

ID:	72181
PubChem CID:	48415897
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-0.95
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations