Geometry & MOs

Info

ID:	72018
PubChem CID:	48415721
Reduced:	OCl2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-3.72
Dipole, Da:	3.95
IP(EA), eV:	-8.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations