2-(4-Fluorophenyl)-4-(1-Phenethyl-1,2,3,6-Tetrahydropyridin-4-Yl)-3-(Pyridin-4-Yl)-1H-Pyrrole

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Properties Simple | Detailed

Formula C28H26FN3
IUPAC Name 4-[2-(4-fluorophenyl)-4-[(1s)-1-(2-phenylethyl)-3,6-dihydro-2h-pyridin-4-yl]pyrrol-1-ium-2-ylium-3-yl]pyridine
Molecular Mass 423.525 g·mol−1
Heat of Formation 273.0 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 526.89 Å 3
Surface Area 445.07 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey XLEONXLSQBBRAN-UHFFFAOYSA-N
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Elements H C N F