N-[2-(Dimethylamino)Ethyl]-N-Methyl-4-[[4-[4-Morpholino-7-(2,2,2-Trifluoroethyl)Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-2-Yl]Phenyl]Carbamoylamino]Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C31H37F3N8O3 |
| IUPAC Name | n-[2-(dimethylamino)ethyl]-n-methyl-4-[[4-[4-morpholino-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-2-yl]phenyl]carbamoylamino]benzamide |
| Molecular Mass | 626.673 g·mol−1 |
| Heat of Formation | -719.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.20 ± 1.08 D |
| Volume | 717.72 Å 3 |
| Surface Area | 597.73 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | 2.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UOVJVHPJOHODHY-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H C N O F |