Geometry & MOs

Info

ID:	25823
PubChem CID:	631294
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-155.5
Dipole, Da:	2.1
IP(EA), eV:	-8.44(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)OC)OC

DOS

IR

Vibrations