2-Anilino-4-(4-Ethylpiperazin-1-Yl)-3,9-Diaza-1-Azonia-5-Azanidabicyclo[4.3.0]Nona-1,3,6,8-Tetraene-7-Carbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C18H21N8+ |
| IUPAC Name | 2-anilino-4-(4-ethylpiperazin-1-yl)-3,9-diaza-1-azonia-5-azanidabicyclo[4.3.0]nona-1,3,6,8-tetraene-7-carbonitrile |
| Molecular Mass | 349.413 g·mol−1 |
| Heat of Formation | 617.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.60 ± 1.08 D |
| Volume | 418.21 Å 3 |
| Surface Area | 371.2 Å 2 |
| HOMO Energy | -8.78 ± 0.55 eV |
| LUMO Energy | -0.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZKKHVPCYWYVCQQ-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N |