Geometry & MOs

Info

ID:	402332
PubChem CID:	135055538
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	5.34
IP(EA), eV:	-8.89(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4aR,8aS,8bS)-3a-(2,4-dimethoxyphenyl)-1,2,3,4a,5,6,7,8,8a,8b-decahydrocyclopenta[a]inden-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2CC(=O)C3=C2CCCO3

DOS

IR

Vibrations