Geometry & MOs

Info

ID:	176180
PubChem CID:	76005734
Reduced:	O5C27H38 (1)
Stoich.:	A5B27C38 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-248.32
Dipole, Da:	5.05
IP(EA), eV:	-9.3(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1=CCC2C1(C(=O)C=C3C2CCC4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations