Geometry & MOs

Info

ID:	272759
PubChem CID:	103755866
Reduced:	NCl2O2F3H10C12 (1)
Stoich.:	AB2C2D3E10F12 (1)
Weight, g/mol:	276.07933
ΔH_f, kcal/mol:	-232.7
Dipole, Da:	3.44
IP(EA), eV:	-10.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)/C=C/C(=O)NCC(C(F)(F)F)O

DOS

IR

Vibrations