Geometry & MOs

Info

ID:	37489
PubChem CID:	8021530
Reduced:	Cl2N3O3H9C11 (1)
Stoich.:	A2B3C3D9E11 (1)
Weight, g/mol:	342.956976
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	5.4
IP(EA), eV:	-10.2(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)Cl)C(=O)OCC(=O)NCCC#N

DOS

IR

Vibrations