Geometry & MOs

Info

ID:	72147
PubChem CID:	48415862
Reduced:	BrON4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	372.098918
ΔH_f, kcal/mol:	32.36
Dipole, Da:	6.26
IP(EA), eV:	-8.72(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-chloro-N-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations