Piperazine, 1-Benzoyl-4-[2-[4-Fluoro-7-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrrolo[2,3-C]Pyridin-3-Yl]-1,2-Dioxoethyl]-

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Properties Simple | Detailed

Formula C22H18FN7O3
IUPAC Name 1-[7-(3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-4-fluoro-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
Molecular Mass 447.422 g·mol−1
Heat of Formation -29.3 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 494.53 Å 3
Surface Area 411.6 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
InChIKey YILIMUKOYIOIAY-UHFFFAOYSA-N
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