Geometry & MOs

Info

ID:	728
PubChem CID:	3273
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	3.71
IP(EA), eV:	-9.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4=O)C

DOS

IR

Vibrations