Geometry & MOs

Info

ID:	85769
PubChem CID:	49878993
Reduced:	ClSO3N6C17H17 (1)
Stoich.:	ABC3D6E17F17 (1)
Weight, g/mol:	380.139702
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	3.96
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN(C(=O)C=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CN=CN4

DOS

IR

Vibrations