Geometry & MOs

Info

ID:	15449
PubChem CID:	442209
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	5.86
Dipole, Da:	6.04
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4aR,5S,9aS)-4a,5-dimethyl-3-methylidene-4,5,6,7,8,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCCC2=C[C@H]3[C@@H](C[C@]12C)C(=C)C(=O)O3

DOS

IR

Vibrations