Geometry & MOs

Info

ID:	3020
PubChem CID:	9054
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	4.66
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C[C@H]2C1(C3CCC4(C(C3CC2)CCC4O)C)C

DOS

IR

Vibrations