Geometry & MOs

Info

ID:	72187
PubChem CID:	48415903
Reduced:	OF3N3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	372.098918
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	2.77
IP(EA), eV:	-8.96(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations