5-Fluoro-8-(4-Fluorophenyl)-9-(1-Methyl-1H-1,2,4-Triazol-5-Yl)-1,2,8,9-Tetrahydro-3H-Pyrido[4,3,2-De]Phthalazin-3-One
Properties
Property | Value |
---|---|
Formula | C19H14F2N6O |
IUPAC Name | (11s,12r)-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(13),5,7,9-tetraen-4-one |
Molecular Mass | 380.351 g·mol−1 |
Heat of Formation | 117.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.65 ± 1.08 D |
Volume | 409.62 Å 3 |
Surface Area | 340.47 Å 2 |
HOMO Energy | -8.70 ± 0.55 eV |
LUMO Energy | 1.32 ± eV |
Point Group Symmetry | C1 |
InChIKey | IUEWAGVJRJORLA-HZPDHXFCSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |