| You need a browser with JavaScript support in order to view the molecule in 3D |
|
Transitions — Left-clk & drag: Zoom; Right-clk: reset |
| Number of atoms | 18 |
|---|---|
| Weight | 128.0626 amu |
| Total energy | -385.7953 Hartree |
| Zero-point energy | 92.35559 Kcal/mol |
| Method | B3LYP/N07D |
| State | d2h |
| Solo hydrogens | 0 |
| Duo hydrogens | 0 |
| Trio hydrogens | 0 |
| Quartet hydrogens | 8 |
| Quintet hydrogens | 0 |
| CH | 0 |
| CH2 | 0 |
| CH3 | 0 |
| smiles | c12c(cccc2)cccc1 |
You are kindly asked to consider the following references for citation when using the database:
Comment(s)