Geometry & MOs

Info

ID:	89638
PubChem CID:	49963245
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	225.090212
ΔH_f, kcal/mol:	-9.11
Dipole, Da:	2.74
IP(EA), eV:	-8.97(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethenylimidazol-2-yl)-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CN1C=CC=C1C(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations