Geometry & MOs

Info

ID:	416227
PubChem CID:	135089237
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	5.16
IP(EA), eV:	-8.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(C=CC=C3F)OC)CO

DOS

IR

Vibrations