Geometry & MOs

Info

ID:	298249
PubChem CID:	117648132
Reduced:	O2C11H14 (2)
Stoich.:	A2B11C14 (2)
Weight, g/mol:	342.219495
ΔH_f, kcal/mol:	-100.92
Dipole, Da:	4.37
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(3-hydroxyprop-1-en-2-yl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CC12CC(=O)C3C(C1CCC2(C(=C)CO)O)CCC4=CC(=O)C=CC34C

DOS

IR

Vibrations