Geometry & MOs

Info

ID:	416247
PubChem CID:	135089259
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-51.79
Dipole, Da:	3.5
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(2-methylpyridin-4-yl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=O)C(=CNC1=O)CCN2CCCCC2CCN3C=CC=N3

DOS

IR

Vibrations