2-[4-Amino-2-[(1S,2R)-2-Methylcyclohexoxy]-5-Oxo-Pyrido[2,3-D]Pyrimidine-1,3-Diium-4A-Id-8-Yl]Acetonitrile
Properties
| Property | Value |
|---|---|
| Formula | C16H20N5O2 |
| IUPAC Name | 2-[4-amino-2-[(1s,2r)-2-methylcyclohexoxy]-5-oxo-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-8-yl]acetonitrile |
| Molecular Mass | 314.362 g·mol−1 |
| Heat of Formation | -110.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.60 ± 1.08 D |
| Volume | 369.68 Å 3 |
| Surface Area | 327.63 Å 2 |
| HOMO Energy | -9.47 ± 0.55 eV |
| LUMO Energy | 2.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YKYWCVFUBPCAAV-PWSUYJOCSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |