(4S)-4-[4-(4-Fluorophenyl)-1H-1,2,3-Triazol-1-Yl]-L-Proline

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Properties Simple | Detailed

Formula C13H13FN4O2
IUPAC Name (2s,4s)-4-[4-(4-fluorophenyl)-2-aza-1-azonia-3-azanidacyclopenta-1,4-dien-1-yl]pyrrolidine-2-carboxylic acid
Molecular Mass 276.266 g·mol−1
Heat of Formation -205.2 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 309.58 Å 3
Surface Area 280.39 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey ZOARAQYNIFGSNI-QWRGUYRKSA-N
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