Geometry & MOs

Info

ID:	18442
PubChem CID:	541024
Reduced:	O3C23H34 (1)
Stoich.:	A3B23C34 (1)
Weight, g/mol:	358.250795
ΔH_f, kcal/mol:	-168.51
Dipole, Da:	6.4
IP(EA), eV:	-9.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2C(CCC3(C2CC(C3(C(=O)C)O)C)C)C4(C1=CC(=O)CC4)C

DOS

IR

Vibrations