Geometry & MOs

Info

ID:	89616
PubChem CID:	49963111
Reduced:	ClNO2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	289.110279
ΔH_f, kcal/mol:	-13.55
Dipole, Da:	2.19
IP(EA), eV:	-9.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(2-methoxynaphthalen-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)C(C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations