Geometry & MOs

Info

ID:	37495
PubChem CID:	8021580
Reduced:	Cl2N3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	359.043961
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	6.1
IP(EA), eV:	-10.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(N=C1)Cl)Cl

DOS

IR

Vibrations