Geometry & MOs

Info

ID:	128701
PubChem CID:	51054761
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	438.145868
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	2.18
IP(EA), eV:	-8.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=CC(=O)C(=CN2)OCC3=CC=CC=C3Cl

DOS

IR

Vibrations