Geometry & MOs

Info

ID:	418197
PubChem CID:	135103799
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-143.2
Dipole, Da:	4.42
IP(EA), eV:	-9.21(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations