Geometry & MOs

Info

ID:	24583
PubChem CID:	611229
Reduced:	O3H7C8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	302.079038
ΔH_f, kcal/mol:	-207.75
Dipole, Da:	6.29
IP(EA), eV:	-9.76(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-oxo-4,5-dihydro-1H-benzo[e][2]benzofuran-4,5-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C(C2=C(COC2=O)C3=CC=CC=C13)C(=O)OC

DOS

IR

Vibrations