Geometry & MOs

Info

ID:	397819
PubChem CID:	135030787
Reduced:	ClOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	354.198365
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	3.85
IP(EA), eV:	-9.36(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S)-13-methyl-3-(2-phenylethynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)Cl)C(C)(C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations