Geometry & MOs

Info

ID:	5774
PubChem CID:	13765
Reduced:	OC20H32 (1)
Stoich.:	AB20C32 (1)
Weight, g/mol:	288.245316
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	1.94
IP(EA), eV:	-8.98(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O

DOS

IR

Vibrations