Geometry & MOs

Info

ID:	288848
PubChem CID:	104326901
Reduced:	ClFON3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	278.070285
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	8.18
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxy-3-fluorophenyl)-4-oxopyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C(=NN=C2Cl)C)F

DOS

IR

Vibrations