Geometry & MOs

Info

ID:	374359
PubChem CID:	131327414
Reduced:	FON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	281.9804
ΔH_f, kcal/mol:	3.33
Dipole, Da:	5.28
IP(EA), eV:	-9.6(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-5-(4-fluorophenyl)-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=NC(=O)C2CN)F

DOS

IR

Vibrations