3-(1-Adamantyl)-6,7,8,9-Tetrahydro-5H-(1,2,4)Triazolo(4,3-A)Azepine
Properties
| Property | Value |
|---|---|
| Formula | C17H25N3 |
| IUPAC Name | 3-(1-adamantyl)-6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,5-a]azepine |
| Molecular Mass | 271.401 g·mol−1 |
| Heat of Formation | 29.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.02 ± 1.08 D |
| Volume | 340.33 Å 3 |
| Surface Area | 281.87 Å 2 |
| HOMO Energy | -9.30 ± 0.55 eV |
| LUMO Energy | 3.72 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | VFTQRHWULYJKCI-ZZNDEYBLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N |