Geometry & MOs

Info

ID:	295431
PubChem CID:	117528644
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	48.35
Dipole, Da:	4.18
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butyl-3-methylbenzimidazol-5-yl)-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)C=C(C=C2)C(C#N)C(C)C

DOS

IR

Vibrations