Geometry & MOs

Info

ID:	151409
PubChem CID:	53801217
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	524.38656
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	6.44
IP(EA), eV:	-9.99(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-[(1R,3aS,7aR)-4-[2-(3,5-dihydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxy-4-methylpent-2-enyl]cyclopropyl]hexan-1-one

Drug info:

PubChemData

Smile

CCC(=CC)C(=CC(=O)O)C

DOS

IR

Vibrations