Geometry & MOs

Info

ID:	185922
PubChem CID:	77369734
Reduced:	OC21H32 (1)
Stoich.:	AB21C32 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	1.28
IP(EA), eV:	-9.09(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-7,10,13,17-tetramethyl-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CCCC=C1C(=C)CC3C2CCC4(C3CCC4(C)O)C

DOS

IR

Vibrations