Geometry & MOs

Info

ID:	296050
PubChem CID:	117552774
Reduced:	ClON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	191.142248
ΔH_f, kcal/mol:	35.92
Dipole, Da:	8.12
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(5-methyl-4-propyl-1H-imidazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C#N)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations