N-{(1S)-1-[8-Chloro-2-(2-Methyl-3-Pyridinyl)-3-Quinolinyl]Ethyl}-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C22H18ClN7
IUPAC Name n-[(1s)-1-[8-chloro-2-(2-methyl-3-pyridyl)-3-quinolyl]ethyl]-9h-purin-6-amine
Molecular Mass 415.878 g·mol−1
Heat of Formation 510.5 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 470.5 Å 3
Surface Area 370.28 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
InChIKey DHDVJIWYMLZLBX-ZDUSSCGKSA-O
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Elements H C Cl N