[Hydroxymethyl-[4-[(E)-2-(5-Nitro-2-Furyl)Vinyl]-5H-Pyrimidine-1,3-Diium-5-Id-2-Yl]Amino]Methanol
Properties
| Property | Value |
|---|---|
| Formula | C12H12N4O5 |
| IUPAC Name | [hydroxymethyl-[4-[(e)-2-(5-nitro-2-furyl)vinyl]-5h-pyrimidine-1,3-diium-5-id-2-yl]amino]methanol |
| Molecular Mass | 292.248 g·mol−1 |
| Heat of Formation | -190.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.29 ± 1.08 D |
| Volume | 322.07 Å 3 |
| Surface Area | 304.44 Å 2 |
| HOMO Energy | -9.52 ± 0.55 eV |
| LUMO Energy | -1.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MRCVCSKNWNYGRW-OWOJBTEDSA-N |
| QR Code | Generate QR Code |
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| Elements | H C O N |