Geometry & MOs

Info

ID:	189302
PubChem CID:	77839710
Reduced:	O2C9H14 (2)
Stoich.:	A2B9C14 (2)
Weight, g/mol:	445.264835
ΔH_f, kcal/mol:	-189.97
Dipole, Da:	2.74
IP(EA), eV:	-9.79(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-hydroxy-11',13'-dimethyl-17'-trimethylsilyloxyspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile

Drug info:

PubChemData

Smile

CC1C2C(C(CCC2(C1=O)O)O)C=CC(CC3CCCC3)O

DOS

IR

Vibrations