Geometry & MOs

Info

ID:	274152
PubChem CID:	103807373
Reduced:	ClIN2O3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	5.47
IP(EA), eV:	-9.28(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CNCCN1C(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations