Geometry & MOs

Info

ID:	261117
PubChem CID:	103218455
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	251.087018
ΔH_f, kcal/mol:	10.7
Dipole, Da:	4.54
IP(EA), eV:	-9.32(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-difluorophenyl)methyl]-5-(methylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CNC1=CC(=O)N(N=C1)CC2=CC=CC=C2Cl

DOS

IR

Vibrations