Geometry & MOs

Info

ID:	295430
PubChem CID:	117528592
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	4.95
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylbenzimidazol-5-yl)-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)C=C(C=C2)C3(COC3)C(=O)O

DOS

IR

Vibrations