Geometry & MOs

Info

ID:	295365
PubChem CID:	117527451
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	239.142248
ΔH_f, kcal/mol:	-63.37
Dipole, Da:	4.89
IP(EA), eV:	-8.74(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1C)C=CC(=C2)CCC(=O)OC

DOS

IR

Vibrations