Geometry & MOs

Info

ID:	13247
PubChem CID:	224155
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-172.96
Dipole, Da:	6.98
IP(EA), eV:	-9.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C)O)C)O

DOS

IR

Vibrations