6-Butyl-5-{[2'-(1H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-2,5,7,10-Tetraazatetracyclo[9.2.2.0~2,10~.0~4,8~]Pentadeca-4(8),6-Dien-3-One
Properties
| Property | Value |
|---|---|
| Formula | C29H32N8O |
| IUPAC Name | 6-butyl-5-{[2'-(1h-tetrazol-5-yl)-4-biphenylyl]methyl}-2,5,7,10-tetraazatetracyclo[9.2.2.0 2,10 .0 4,8 ]pentadeca-4(8),6-dien-3-one |
| Molecular Mass | 508.617 g·mol−1 |
| Heat of Formation | 489.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.49 ± 1.08 D |
| Volume | 611.3 Å 3 |
| Surface Area | 491.18 Å 2 |
| HOMO Energy | -8.40 ± 0.55 eV |
| LUMO Energy | -1.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GNRPOJRPMDCDDL-SZPZYZBQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |