Geometry & MOs

Info

ID:	415706
PubChem CID:	135088706
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	65.3
Dipole, Da:	1.4
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-propyl-1-pyridin-2-ylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CN=C(N=C2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations