Geometry & MOs

Info

ID:	148777
PubChem CID:	53788446
Reduced:	OC22H34 (1)
Stoich.:	AB22C34 (1)
Weight, g/mol:	314.260966
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	0.67
IP(EA), eV:	-8.98(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13S)-10,13-dimethyl-6-propyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CCCC1CC2C3CCC(=O)[C@@]3(CCC2C4(C1=CCCC4)C)C

DOS

IR

Vibrations