5-[1-(2-Fluoro-3-Pyridinyl)-5-Methyl-1H-1,2,3-Triazol-4-Yl]-2-Isopropyl-1-Isoindolinone

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Properties Simple | Detailed

Formula C19H18FN5O
IUPAC Name 5-[1-(2-fluoro-3-pyridyl)-5-methyl-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-4-yl]-2-isopropyl-isoindolin-1-one
Molecular Mass 351.377 g·mol−1
Heat of Formation 122.2 ± 16.7 kJ·mol−1
Dipole Moment 10.05 ± 1.08 D
Volume 410.54 Å 3
Surface Area 363.21 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey ZUWMBBZBDLJVHD-LRFGSCOBSA-N
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