5-Bromo-N~4~-(5-Methyl-1H-Pyrazol-3-Yl)-N~2~-[2-(3-Pyridinyl)Ethyl]-2,4-Pyrimidinediamine
Properties
Property | Value |
---|---|
Formula | C15H16BrN7 |
IUPAC Name | 5-bromo-n4-(5-methylpyrazol-2-ium-5-ylium-3-yl)-n2-[2-(3-pyridyl)ethyl]pyrimidine-2,4-diamine |
Molecular Mass | 374.238 g·mol−1 |
Heat of Formation | 445.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.77 ± 1.08 D |
Volume | 382.85 Å 3 |
Surface Area | 354.14 Å 2 |
HOMO Energy | -8.79 ± 0.55 eV |
LUMO Energy | -0.64 ± eV |
Point Group Symmetry | C1 |
InChIKey | UOHJGIQDKUHCQV-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C Br N |