5-Fluoro-8-(4-Fluorophenyl)-9-(1-Methyl-1H-1,2,4-Triazol-5-Yl)-2,7,8,9-Tetrahydro-3H-Pyrido[4,3,2-De]Phthalazin-3-One
Properties
Property | Value |
---|---|
Formula | C19H14F2N6O |
IUPAC Name | 7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one |
Molecular Mass | 380.351 g·mol−1 |
Heat of Formation | -9.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.00 ± 1.08 D |
Volume | 407.27 Å 3 |
Surface Area | 338.51 Å 2 |
HOMO Energy | -8.97 ± 0.55 eV |
LUMO Energy | 1.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | HWGQMRYQVZSGDQ-HZPDHXFCSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |