Geometry & MOs

Info

ID:	291571
PubChem CID:	113444941
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	261.103275
ΔH_f, kcal/mol:	0.17
Dipole, Da:	6.49
IP(EA), eV:	-9.46(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-1-pentylbenzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)NC)NC1=CC=CC(=C1[N+](=O)[O-])C#N

DOS

IR

Vibrations