Geometry & MOs

Info

ID:	422572
PubChem CID:	135118061
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	341.139386
ΔH_f, kcal/mol:	23.03
Dipole, Da:	4.17
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=C(C=CC(=N3)C(C)C)C#N

DOS

IR

Vibrations