Geometry & MOs

Info

ID:	415445
PubChem CID:	135088439
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-165.52
Dipole, Da:	4.08
IP(EA), eV:	-9.27(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=CC=CC=C3OC)C(=O)O

DOS

IR

Vibrations