Geometry & MOs

Info

ID:	179794
PubChem CID:	76533331
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	348.210073
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	3.72
IP(EA), eV:	-7.22(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethynyl-16-fluoro-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol

Drug info:

PubChemData

Smile

CC12CCC(CC1=CC(C3C2CCC4(C3CC(C4(C)O)O)C)O)O

DOS

IR

Vibrations