Geometry & MOs

Info

ID:	37490
PubChem CID:	8021542
Reduced:	NCl3O3H8C14 (1)
Stoich.:	AB3C3D8E14 (1)
Weight, g/mol:	337.027249
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	4.7
IP(EA), eV:	-10.06(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)Cl

DOS

IR

Vibrations