Geometry & MOs

Info

ID:	217208
PubChem CID:	85087427
Reduced:	OC3H5 (6)
Stoich.:	AB3C5 (6)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-232.9
Dipole, Da:	2.65
IP(EA), eV:	-9.38(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC(C)O)C

DOS

IR

Vibrations