Geometry & MOs

Info

ID:	168390
PubChem CID:	74960803
Reduced:	OC11H16 (2)
Stoich.:	AB11C16 (2)
Weight, g/mol:	374.188195
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	1.08
IP(EA), eV:	-8.37(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-yl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)CC=C(C)CCC=C(C)CCC=C(C)C)O

DOS

IR

Vibrations