Geometry & MOs

Info

ID:	415199
PubChem CID:	135088190
Reduced:	OSN3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-15.34
Dipole, Da:	4.49
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-[2-(4-propoxyphenoxy)ethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC=C(S2)C3CCCC3

DOS

IR

Vibrations