Geometry & MOs

Info

ID:	89619
PubChem CID:	49963129
Reduced:	NOH13C18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	52.42
Dipole, Da:	3.46
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(2-methylphenyl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations