Geometry & MOs

Info

ID:	214323
PubChem CID:	84975087
Reduced:	ClO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	324.14788
ΔH_f, kcal/mol:	-94.58
Dipole, Da:	4.3
IP(EA), eV:	-9.34(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)CN2CCCC(C2)C(=O)N

DOS

IR

Vibrations