Geometry & MOs

Info

ID:	424280
PubChem CID:	135122024
Reduced:	O4H12C17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	280.073559
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	4.38
IP(EA), eV:	-9.07(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-methoxyphenyl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations