Geometry & MOs

Info

ID:	299886
PubChem CID:	117844539
Reduced:	ON2F3H6C10 (2)
Stoich.:	AB2C3D6E10 (2)
Weight, g/mol:	358.043295
ΔH_f, kcal/mol:	-238.82
Dipole, Da:	5.68
IP(EA), eV:	-9.31(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C=C(C=C2)C(F)(F)F)OC3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations