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

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Properties Simple | Detailed

Formula C17H18FN5
IUPAC Name 2-(3-fluorophenyl)-n-[2-[2-(2h-imidazol-1-ium-2-ylium-1-yl)pyrimidin-4-yl]ethyl]ethanamine
Molecular Mass 311.357 g·mol−1
Heat of Formation 205.8 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 377.38 Å 3
Surface Area 353.55 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey ZPTNPJCYGBTULC-UHFFFAOYSA-N
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Elements H C F N