Geometry & MOs

Info

ID:	394018
PubChem CID:	135022174
Reduced:	NSO2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	259.099714
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	6.08
IP(EA), eV:	-9.64(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)O1)C2=NC=CS2

DOS

IR

Vibrations