Geometry & MOs

Info

ID:	8779
PubChem CID:	81382
Reduced:	O3H20C27 (1)
Stoich.:	A3B20C27 (1)
Weight, g/mol:	392.141245
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	1.97
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)O)(C4=CC=C(C5=CC=CC=C54)O)O

DOS

IR

Vibrations