2-Amino-6-(4-Bromophenyl)-5-Phenyl-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-4-One
Properties
| Property | Value |
|---|---|
| Formula | C18H20BrN4O+ |
| IUPAC Name | (2s,4ar,5r,6s,7ar)-2-amino-6-(4-bromophenyl)-5-phenyl-1,2,3,4a,5,6,7,7a-octahydropyrrolo[2,3-d]pyrimidin-3-ium-4-one |
| Molecular Mass | 388.282 g·mol−1 |
| Heat of Formation | 211.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.04 ± 1.08 D |
| Volume | 380.82 Å 3 |
| Surface Area | 332.23 Å 2 |
| HOMO Energy | -8.39 ± 0.55 eV |
| LUMO Energy | -1.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DDHSUMFXWQZAHE-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
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| Elements | H C Br O N |