Geometry & MOs

Info

ID:	952
PubChem CID:	3575
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	5.05
IP(EA), eV:	-9.14(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

Drug info:

PubChemData

Smile

CC1=CCCC2(C1C3C(CC2)C(=C)C(=O)O3)C

DOS

IR

Vibrations