TEX is a caged, nitramine type explosive material. To envisage the response of its bonds against stretching, an inert atom, helium, is doped into interior cavity of TEX molecule. Density functional theory at the level of B3LYP/6-31++G(d,p) was employed to investigate some physicochemical and quantum chemical properties of the * Dr. L. Türker quires positive charge, meaning that positive potential field inside the cavity of TEX is able to strip one electron off from helium electronic configuration.