Geometry & MOs

Info

ID:	89623
PubChem CID:	49963134
Reduced:	NOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	237.115364
ΔH_f, kcal/mol:	15.59
Dipole, Da:	3.33
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylphenyl)-hydroxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(C=C2)C#N)O)C

DOS

IR

Vibrations