Geometry & MOs

Info

ID:	3777
PubChem CID:	10166
Reduced:	OC4H4 (4)
Stoich.:	AB4C4 (4)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-120.08
Dipole, Da:	3.75
IP(EA), eV:	-9.42(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

Drug info:

PubChemData

Smile

C[C@H]1CC2=C([C@H](O1)C)C(=O)C3=C(C2=O)C=CC=C3OC

DOS

IR

Vibrations