Geometry & MOs

Info

ID:	72220
PubChem CID:	48415939
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	4.62
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CC(=O)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations