Geometry & MOs

Info

ID:	18421
PubChem CID:	540766
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-120.97
Dipole, Da:	4.51
IP(EA), eV:	-9.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C

DOS

IR

Vibrations