Geometry & MOs

Info

ID:	291572
PubChem CID:	113445035
Reduced:	ClN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	273.103275
ΔH_f, kcal/mol:	47.77
Dipole, Da:	8.19
IP(EA), eV:	-9.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-1-(1-cyclopropylpropan-2-yl)benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCCN1C2=CC=CC(=C2N=C1CCl)C#N

DOS

IR

Vibrations