Geometry & MOs

Info

ID:	71939
PubChem CID:	48415639
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	5.89
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(methylamino)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations