Geometry & MOs

Info

ID:	231144
PubChem CID:	87572755
Reduced:	ClO3N10C27H33 (1)
Stoich.:	AB3C10D27E33 (1)
Weight, g/mol:	325.090133
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	10.21
IP(EA), eV:	-9.18(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C(=O)NC(=O)NC2CCC(CC2)NC3=NN4C(=CN=C4C(=C3)NC5CC5)C(=O)NC6=CC(=NC=C6)Cl

DOS

IR

Vibrations