Geometry & MOs

Info

ID:	159432
PubChem CID:	57280148
Reduced:	OC35H52 (1)
Stoich.:	AB35C52 (1)
Weight, g/mol:	183.079647
ΔH_f, kcal/mol:	-72.04
Dipole, Da:	3.37
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)imidazole-1-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC1=C(C(=C(C=C1)C=CC(=O)C2=CC=CC=C2)CCC)CCC

DOS

IR

Vibrations