(1R,2S,6R,7S,8R,11S)-4-{4-[4-(2-Pyrimidinyl)-1-Piperazinyl]Butyl}-4-Azatetracyclo[5.4.2.0~2,6~.0~8,11~]Trideca-9,12-Diene-3,5-Dione
Properties
| Property | Value |
|---|---|
| Formula | C24H29N5O2 |
| IUPAC Name | (1r,2s,6r,7s,8r,11s)-4-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-4-azatetracyclo[5.4.2.0 2,6 .0 8,11 ]trideca-9,12-diene-3,5-dione |
| Molecular Mass | 419.519 g·mol−1 |
| Heat of Formation | 93.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.22 ± 1.08 D |
| Volume | 501.53 Å 3 |
| Surface Area | 415.93 Å 2 |
| HOMO Energy | -8.71 ± 0.55 eV |
| LUMO Energy | 2.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AERLHOTUXIJQFV-QUTUUGMOSA-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 |