Geometry & MOs

Info

ID:	295420
PubChem CID:	117528411
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	-36.74
Dipole, Da:	3.1
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[3-methyl-2-(2-methylpropyl)benzimidazol-5-yl]propanenitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)CCC(=O)OC)N=C1C3CC3

DOS

IR

Vibrations