Geometry & MOs

Info

ID:	138476
PubChem CID:	52370813
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	297.136981
ΔH_f, kcal/mol:	-43.32
Dipole, Da:	3.91
IP(EA), eV:	-8.51(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-[(3S)-3-hydroxypiperidin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCC(=O)N2CCC3=CC=CC=C32)C

DOS

IR

Vibrations