Geometry & MOs

Info

ID:	320160
PubChem CID:	126658507
Reduced:	ClO2F3N4H12C18 (1)
Stoich.:	AB2C3D4E12F18 (1)
Weight, g/mol:	338.097917
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	6.52
IP(EA), eV:	-9.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-fluoro-2-(2-fluorophenyl)phenoxy]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1C=CC=CC1C2=C(C=C(C=C2)OC(F)(F)F)OC3=NN4C(=NN=C4Cl)C=C3

DOS

IR

Vibrations