KALAIARASI & MANIVARMAN , Orient. J. Chem., Vol. 33(1), 304-317 (2017)
316
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30
x10 esu , which is 14 times higher than that of urea.
Stability and reactivity is analysed by energy gap of
HOMO-LUMO. HOMO-LUMO are mainly located
over N=C group. The global reactivity descriptors
ù determines the biological activity nature of our
compound and it is used to study about toxicity of
various synthesized compounds. A thermodynamic
calculation of the compound is calculated in gas
phase and the thermodynamic parameters s, ÄE,
ÄH finds to increase with increase in temperature
and they could not be used in solution.
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