Description
The data set contains the data for 20 cannabinoids and cannabinoid-related compounds computed with quantum-chemical methods. This includes the optimized geometries for the conformers and the corresponding rotational constants, vibrational frequencies, and electronic energies.
Resources
| Name | Format | Description | Link |
|---|---|---|---|
| SQLite database with the results of quantum-chemical calculations for 20 cannabinoids and cannabinoid-related compounds | Binary | compressed SQLite database | Open resource |
| Brief description | Text | README.txt | Open resource |