Geometry & MOs

Info

ID:	446217
PubChem CID:	135273216
Reduced:	O2N3C9H10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	307.083602
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	5.15
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(6-piperazin-1-ylpyridin-3-yl)oxy-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C=C(C=N2)OC3=CN=C(C=C3)N4CCNCC4

DOS

IR

Vibrations