Geometry & MOs

Info

ID:	85048
PubChem CID:	49871456
Reduced:	ClO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-139.78
Dipole, Da:	4.92
IP(EA), eV:	-9.55(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,5Z,9aS)-3a-hydroxy-9a-methyl-3-propan-2-yl-1,2,3,4,7,9-hexahydrocyclopenta[8]annulen-8-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@H](C2=C(O1)CCCC2=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations