Geometry & MOs

Info

ID:	238970
PubChem CID:	93165794
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	5.09
IP(EA), eV:	-8.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H]([C@@H](CCC2=O)C(=O)NCC3=CC=CC=N3)C4=CC=CC=C4OC

DOS

IR

Vibrations