Geometry & MOs

Info

ID:	3790
PubChem CID:	10203
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-142.76
Dipole, Da:	2.35
IP(EA), eV:	-9.7(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC[C@@H](CC1CCC3C2CCC4(C3CCC4=O)C)O

DOS

IR

Vibrations