2-({2-[(3R)-3-Amino-1-Piperidinyl]-5-Bromo-6-Oxo-1(6H)-Pyrimidinyl}Methyl)Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C17H19BrN5O+ |
| IUPAC Name | 2-[[2-[(3r)-3-amino-1-piperidyl]-5-bromo-6-oxo-1h-pyrimidin-1-ium-1-yl]methyl]benzonitrile |
| Molecular Mass | 389.270 g·mol−1 |
| Heat of Formation | 186.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.32 ± 1.08 D |
| Volume | 401.19 Å 3 |
| Surface Area | 331.41 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | 2.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GGCILSXUAHLDMF-CQSZACIVSA-O |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Br N |