Geometry & MOs

Info

ID:	149177
PubChem CID:	53788849
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	3.87
IP(EA), eV:	-9.78(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4[C@H]3CC[C@@]2(C1)CCO

DOS

IR

Vibrations