Geometry & MOs

Info

ID:	72221
PubChem CID:	48415940
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	18.98
Dipole, Da:	4.33
IP(EA), eV:	-9.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations