N-[2-(3-Fluorophenyl)Ethyl]-N'-[2-(1H-Imidazol-1-Yl)-4-Pyrimidinyl]-1,2-Ethanediamine

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Properties Simple | Detailed

Formula C17H19FN6
IUPAC Name n-[2-(3-fluorophenyl)ethyl]-n'-[2-(2h-imidazol-1-ium-2-ylium-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
Molecular Mass 326.371 g·mol−1
Heat of Formation 220.5 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 393.0 Å 3
Surface Area 370.46 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey YCRYBRYYCUMKOD-UHFFFAOYSA-N
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Elements H C F N