Geometry & MOs

Info

ID:	230690
PubChem CID:	87571665
Reduced:	ClPC5O6H8 (1)
Stoich.:	ABC5D6E8 (1)
Weight, g/mol:	325.090133
ΔH_f, kcal/mol:	-296.54
Dipole, Da:	2.86
IP(EA), eV:	-10.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

C(C(=O)O)C(C(=O)O)(C(=O)O)P.Cl

DOS

IR

Vibrations