[4-Methyl-6-(3-Nitrophenyl)-2-Phenyl-Pyrimidine-1,3-Diium-5-Id-5-Yl]-(4-Methylpiperazin-1-Yl)Methanone
Properties
| Property | Value |
|---|---|
| Formula | C23H23N5O3 |
| IUPAC Name | [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-1,3-diium-5-id-5-yl]-(4-methylpiperazin-1-yl)methanone |
| Molecular Mass | 417.460 g·mol−1 |
| Heat of Formation | 153.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.34 ± 1.08 D |
| Volume | 494.13 Å 3 |
| Surface Area | 408.55 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | 1.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MZDJOBGPLALFLT-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |