Geometry & MOs

Info

ID:	12091
PubChem CID:	129974
Reduced:	O8H10C13 (1)
Stoich.:	A8B10C13 (1)
Weight, g/mol:	294.037567
ΔH_f, kcal/mol:	-231.08
Dipole, Da:	3.37
IP(EA), eV:	-8.92(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9-dihydroxy-6,7-dimethoxybenzo[f][1,3]benzodioxole-5,8-dione

Drug info:

PubChemData

Smile

COC1=C(C(=O)C2=C(C1=O)C(=C3C(=C2O)OCO3)O)OC

DOS

IR

Vibrations