Geometry & MOs

Info

ID:	284839
PubChem CID:	104076339
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	63.93
Dipole, Da:	6.0
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxyethyl)-3-(2-methylimidazol-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C#N)N(CC#C)CC2CC2)O

DOS

IR

Vibrations