Geometry & MOs

Info

ID:	238968
PubChem CID:	93165792
Reduced:	BrON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	2.42
IP(EA), eV:	-8.61(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1[C@@H](CN)C2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations