Geometry & MOs

Info

ID:	12348
PubChem CID:	135558
Reduced:	O3H7C8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	302.079038
ΔH_f, kcal/mol:	-210.86
Dipole, Da:	3.11
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,10-dihydroxy-5,7-dimethoxy-3-methylbenzo[g]isochromen-9-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=CC(=CC(=O)C3=C(C2=C(O1)O)O)OC)OC

DOS

IR

Vibrations