Geometry & MOs

Info

ID:	424281
PubChem CID:	135122025
Reduced:	O4H12C17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	280.073559
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	2.06
IP(EA), eV:	-8.76(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-2-methoxyphenyl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC(=O)C3=CC=CC=C3C2=O)O

DOS

IR

Vibrations