Geometry & MOs

Info

ID:	21778
PubChem CID:	589886
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-122.73
Dipole, Da:	4.33
IP(EA), eV:	-8.9(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione

Drug info:

PubChemData

Smile

CC12CC(=O)C3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations