Geometry & MOs

Info

ID:	24095
PubChem CID:	607838
Reduced:	O3H10C14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	226.062994
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	4.48
IP(EA), eV:	-9.36(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethylbenzo[g][1]benzofuran-4,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(C(=CO3)C)C(=O)C2=O

DOS

IR

Vibrations