Geometry & MOs

Info

ID:

140002

PubChem CID:

52628462

Reduced:

O2F3N3C22H31 (1)

Stoich.:

A2B3C3D22E31 (1)

Weight, g/mol:

425.229012

ΔHf, kcal/mol:

-235.34

Dipole, Da:

6.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.011116

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC=C(C=C2)CNC(=O)[C@@H]3CC(=O)N(C3)CC(F)(F)F)C

DOS

IR

Vibrations