Geometry & MOs

Info

ID:	318297
PubChem CID:	126650389
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-163.68
Dipole, Da:	11.3
IP(EA), eV:	-9.08(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-(hydroxymethyl)-4-[3-(2-methoxyethoxy)phenyl]-2-methylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@H](CN1C(=O)O)COC2=CC3=C(CNC3=O)C=C2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations