Geometry & MOs

Info

ID:	406684
PubChem CID:	135078355
Reduced:	NCl4O4H9C10 (1)
Stoich.:	AB4C4D9E10 (1)
Weight, g/mol:	311.959716
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	8.25
IP(EA), eV:	-9.44(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,2,2-trichloroethyl 3-acetyloxypyridin-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1=C[N+](=CC=C1)C(=O)OCC(Cl)(Cl)Cl.[Cl-]

DOS

IR

Vibrations