Geometry & MOs

Info

ID:	214347
PubChem CID:	84975240
Reduced:	Cl2O2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	364.038635
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	6.41
IP(EA), eV:	-9.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)N

DOS

IR

Vibrations