Geometry & MOs

Info

ID:	12885
PubChem CID:	147686
Reduced:	N3C9H11 (1)
Stoich.:	A3B9C11 (1)
Weight, g/mol:	161.095297
ΔH_f, kcal/mol:	59.71
Dipole, Da:	6.3
IP(EA), eV:	-9.4(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(2-methylprop-1-enyl)imidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(=CC1=NC=C(N1C)C#N)C

DOS

IR

Vibrations