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Transitions — Left-clk & drag: Zoom; Right-clk: reset |
| Number of atoms | 17 |
|---|---|
| Weight | 116.0626 amu |
| Total energy | -347.6284 Hartree |
| Zero-point energy | 85.83828 Kcal/mol |
| Method | B3LYP/N07D |
| State | c1 |
| Solo hydrogens | 0 |
| Duo hydrogens | 0 |
| Trio hydrogens | 0 |
| Quartet hydrogens | 4 |
| Quintet hydrogens | 0 |
| CH | 0 |
| CH2 | 0 |
| CH3 | 1 |
| smiles | c1(c(cccc1)C#C)C |
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