Geometry & MOs

Info

ID:	24281
PubChem CID:	609068
Reduced:	ClH2N4F7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	321.985621
ΔH_f, kcal/mol:	-252.61
Dipole, Da:	6.31
IP(EA), eV:	-10.62(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1=CC(=NN2C1=NN=C2C(C(C(F)(F)F)(F)F)(F)F)Cl

DOS

IR

Vibrations