Research Article
1-(2-Chlorobenzyloxy)-3-[1,2,3]triazol-1-yl-propan-2-ol Derivatives: Synthesis, Characterization, and DFT-Based Descriptors Analysis
Table 3
Global reactivity indexes in eV.
| | A | I | μ | | |
| 1 | 0.113 | 6.546 | −3.216 | 0.155 | 0.804 | 7 | −1.042 | 7.717 | −8.879 | 0.056 | 2.219 | 8 | −0.162 | 7.593 | −3.878 | 0.128 | 0.969 | 9 | −0.129 | 7.250 | −3.689 | 0.135 | 0.922 | 10 | −0.105 | 7.510 | −3.808 | 0.131 | 0.952 | 12 | −0.158 | 8.362 | −4.260 | 0.117 | 1.065 | 13 | 0.911 | 8.253 | −3.671 | 0.136 | 0.917 | 14 | 0.347 | 7.312 | −3.482 | 0.143 | 0.870 | 15 | 0.526 | 6.619 | −3.044 | 0.164 | 0.761 | 16 | 0.271 | 7.397 | −3.562 | 0.140 | 0.890 | 17 | 0.371 | 7.537 | −3.583 | 0.139 | 0.895 | 18 | 0.568 | 7.688 | −3.559 | 0.140 | 0.889 |
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