Geometry & MOs

Info

ID:	188171
PubChem CID:	77677440
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-145.97
Dipole, Da:	7.04
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCCOC1CCC2C1(CCC3C2CCC4=CC(=CC(=O)C34C)O)C

DOS

IR

Vibrations