Geometry & MOs

Info

ID:

132791

PubChem CID:

51421733

Reduced:

ClNO4C17H25 (1)

Stoich.:

ABC4D17E25 (1)

Weight, g/mol:

341.139386

ΔHf, kcal/mol:

-152.89

Dipole, Da:

1.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754367

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3S)-1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@@H](COC2=CC=CC=C2Cl)O

DOS

IR

Vibrations