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

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Properties Simple | Detailed

Formula C18H20FN5
IUPAC Name 3-(3-fluorophenyl)-n-[2-[2-(2h-imidazol-1-ium-2-ylium-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine
Molecular Mass 325.383 g·mol−1
Heat of Formation 183.9 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 400.13 Å 3
Surface Area 373.77 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey GTABKUMYLUXCIH-UHFFFAOYSA-N
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Elements H C F N