3-[3-(Diaminomethylene)-6-Oxo-1,4-Cyclohexadien-1-Yl]-1-{5-[(2R,6S)-2,6-Dimethyl-1-Piperidinyl]Pentyl}-2(1H)-Quinoxalinone
Properties
| Property | Value |
|---|---|
| Formula | C27H35N5O2 |
| IUPAC Name | [amino-[3-[4-[5-[(2r,6s)-2,6-dimethyl-1-piperidyl]pentyl]-3-oxo-quinoxalin-1-ium-4a-id-2-yl]-4-oxo-cyclohexa-2,5-dien-1-yl]methylene]ammonium |
| Molecular Mass | 461.599 g·mol−1 |
| Heat of Formation | -84.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.81 ± 1.08 D |
| Volume | 575.72 Å 3 |
| Surface Area | 496.37 Å 2 |
| HOMO Energy | -8.20 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RDPNDGKIFZJCDQ-KDURUIRLSA-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 |