2-[4-(4-Fluorophenyl)-3-(1H-Pyrrol-1-Yl)-1H-Pyrazol-1-Yl]-N,N-Dimethylethanamine

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Properties Simple | Detailed

Formula C17H19FN4
IUPAC Name 2-[4-(4-fluorophenyl)-3-(3h-pyrrol-1-ium-3-id-1-yl)pyrazol-1-ium-4-id-1-yl]-n,n-dimethyl-ethanamine
Molecular Mass 298.358 g·mol−1
Heat of Formation 232.7 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 369.47 Å 3
Surface Area 335.18 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
InChIKey ZCQVHVWVDAEXBJ-UHFFFAOYSA-N
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Elements H C F N