Geometry & MOs

Info

ID:	72326
PubChem CID:	48416049
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	3.94
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethyl-4-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations