Geometry & MOs

Info

ID:	214306
PubChem CID:	84975008
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	358.108907
ΔH_f, kcal/mol:	-26.01
Dipole, Da:	5.36
IP(EA), eV:	-8.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)CNC(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations