Geometry & MOs

Info

ID:	140632
PubChem CID:	52732263
Reduced:	O2N3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	373.161326
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	8.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.117997
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propylamino)ethyl] (3R)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)[C@@H]3CCC[NH+](C3)CC4=CC=CC=C4

DOS

IR

Vibrations