Geometry & MOs

Info

ID:	668
PubChem CID:	3167
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-149.44
Dipole, Da:	2.34
IP(EA), eV:	-9.75(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2(C(CCC3C2CCC4(C3CCC4O)C)CC1=O)C

DOS

IR

Vibrations