(3S,4R)-3-Hydroxy-2,2-Dimethyl-4-[(1-Methyl-6-Oxo-1,6-Dihydro-3-Pyridazinyl)Oxy]-6-Chromanecarbonitrile
Properties
| Property | Value |
|---|---|
| Formula | C17H17N3O4 |
| IUPAC Name | (3s,4r)-3-hydroxy-2,2-dimethyl-4-(1-methyl-6-oxo-pyridazin-3-yl)oxy-chromane-6-carbonitrile |
| Molecular Mass | 327.335 g·mol−1 |
| Heat of Formation | -313.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.94 ± 1.08 D |
| Volume | 380.29 Å 3 |
| Surface Area | 332.02 Å 2 |
| HOMO Energy | -9.13 ± 0.55 eV |
| LUMO Energy | -1.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RIBYSHCVSQIIJE-CVEARBPZSA-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 |