Table 3.
Comparison of the observed and calculated vibrational spectra of the title compound.
| Assignments | Theoretical frequencies B3LYP/6311G | Observed frequencies (FTIR) |
|---|---|---|
| C=N | 1644 | 1637 |
| OH | 3436 | 3434 |
| C-H | 2956 | 2956 |
| C=C | 1652 | 1654 |
| RMSD | 3.77 |
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