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Transitions — Left-clk & drag: Zoom; Right-clk: reset |
| Number of atoms | 25 |
|---|---|
| Weight | 203.0735 amu |
| Total energy | -631.6438 Hartree |
| Zero-point energy | 120.5941 Kcal/mol |
| Method | B3LYP/N07D |
| State | cs |
| Solo hydrogens | 2 |
| Duo hydrogens | 0 |
| Trio hydrogens | 0 |
| Quartet hydrogens | 7 |
| Quintet hydrogens | 0 |
| CH | 0 |
| CH2 | 0 |
| CH3 | 0 |
| smiles | c12c(cc3c(c1)cc(cc3)C#N)cccc2 |
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