Geometry & MOs

Info

ID:	89618
PubChem CID:	49963128
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	259.099714
ΔH_f, kcal/mol:	6.63
Dipole, Da:	3.99
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy(naphthalen-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations