Geometry & MOs

Info

ID:	89617
PubChem CID:	49963119
Reduced:	NO2H15C19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	10.52
Dipole, Da:	6.02
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(2,4,6-trimethylphenyl)methyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C(C3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations