Geometry & MOs

Info

ID:	414631
PubChem CID:	135087590
Reduced:	ClO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	341.139386
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	8.79
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(4-chlorophenoxy)ethyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NCCNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations