3-(3-Fluorophenyl)-N-{2-[2-(5-Methyl-1H-Imidazol-1-Yl)-4-Pyrimidinyl]Ethyl}-1-Propanamine

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Properties Simple | Detailed

Formula C19H22FN5
IUPAC Name 3-(3-fluorophenyl)-n-[2-[2-(5-methyl-2h-imidazol-1-ium-2-ylium-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine
Molecular Mass 339.410 g·mol−1
Heat of Formation 146.4 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 418.44 Å 3
Surface Area 388.6 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey XNNXUOKGLOGLRV-UHFFFAOYSA-N
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Elements H C F N