Geometry & MOs

Info

ID:	374358
PubChem CID:	131327407
Reduced:	ClON3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	219.08079
ΔH_f, kcal/mol:	46.95
Dipole, Da:	3.23
IP(EA), eV:	-9.59(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=NC(=O)C2N)Cl

DOS

IR

Vibrations