N-{(1S)-1-[7-Fluoro-2-(2-Pyridinyl)-3-Quinolinyl]Ethyl}-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C21H16FN7
IUPAC Name n-[(1s)-1-[7-fluoro-2-(2-pyridyl)-3-quinolyl]ethyl]purin-9-ium-6-amine
Molecular Mass 385.397 g·mol−1
Heat of Formation 419.6 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 436.01 Å 3
Surface Area 381.93 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey KWRYMZHCQIOOEB-LBPRGKRZSA-N
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Elements H C F N