5-{1-[2-(~18~F)Fluoro-3-Pyridinyl]-5-Methyl-1H-1,2,3-Triazol-4-Yl}-2-Propyl-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-propyl-isoindolin-1-one
Molecular Mass 351.378 g·mol−1
Heat of Formation 127.9 ± 16.7 kJ·mol−1
Dipole Moment 8.93 ± 1.08 D
Volume 404.9 Å 3
Surface Area 358.47 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey NYDVTBHNZHBCKX-LRFGSCOBSA-N
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Elements H C N O F