Geometry & MOs

Info

ID:	225587
PubChem CID:	85856283
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	6.35
IP(EA), eV:	-8.61(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC)CO

DOS

IR

Vibrations