Geometry & MOs

Info

ID:	57833
PubChem CID:	24277635
Reduced:	FO2N4H7C12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	258.055304
ΔH_f, kcal/mol:	1.76
Dipole, Da:	2.92
IP(EA), eV:	-9.88(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C3N2N=C(C=C3)C(=O)O)F

DOS

IR

Vibrations