Geometry & MOs

Info

ID:	421740
PubChem CID:	135116522
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	5.66
Dipole, Da:	0.66
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(5-methylpyridin-2-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCC(CC2)OCC3=CC=CC=N3

DOS

IR

Vibrations