Geometry & MOs

Info

ID:	4044
PubChem CID:	10633
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-135.07
Dipole, Da:	5.2
IP(EA), eV:	-9.6(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C

DOS

IR

Vibrations