Geometry & MOs

Info

ID:	72106
PubChem CID:	48415818
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-56.48
Dipole, Da:	2.35
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CCCO3

DOS

IR

Vibrations