| Descriptor: HOMO energy (AM1) |
-8.494 | |
| Descriptor: HASA-1/TMSA (AM1) (all) |
0.0 | |
| Descriptor: Relative number of aromatic bonds |
0.458 | |
| Descriptor: HACA-1/TMSA (Zefirov) |
0.0 | |
| Descriptor: Relative number of H atoms |
0.4545 | |
| Descriptor: Max Sigma-Sigma bond order (AM1) |
0.7094 | |
| Descriptor: No. of occupied electronic levels (AM1) / # atoms |
1.3182 | |
| Descriptor: Tot molecular 2-center resonance energy (AM1) / # of atoms |
-15.186 | |
| Descriptor: Avg nucleophilic reactivity index (AM1) for H atoms |
5.0E-4 | |
| Descriptor: Highest resonance energy (AM1) for C - H bonds |
-10.5749 | |
| Descriptor: Lowest atomic state energy (AM1) for H atoms |
-7.6744 | |
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