Geometry & MOs

Info

ID:	216249
PubChem CID:	85085948
Reduced:	O6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	-276.16
Dipole, Da:	2.98
IP(EA), eV:	-10.16(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-3,8a-dimethyl-5,9-dihydro-4aH-benzo[f][1]benzofuran-4,6-dione

Drug info:

PubChemData

Smile

CC1(OC2CCC(C(C2O1)O)(C(=O)OC)O)C

DOS

IR

Vibrations