Geometry & MOs

Info

ID:	224747
PubChem CID:	85349198
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-101.31
Dipole, Da:	2.28
IP(EA), eV:	-9.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9a-hydroxy-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f][1]benzofuran-2-one

Drug info:

PubChemData

Smile

CC1=C2CC(CC(=O)C2(CCC1=O)C)C(=C)C=O

DOS

IR

Vibrations