6-(3,5-Difluoroanilino)-9-Ethyl-Purine-2-Carbonitrile

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Properties Simple | Detailed

Formula C14H10F2N6
IUPAC Name 6-(3,5-difluoroanilino)-9-ethyl-purine-1,3,7-triium-2-carbonitrile
Molecular Mass 300.266 g·mol−1
Heat of Formation 140.4 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 331.47 Å 3
Surface Area 310.22 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
InChIKey SZYYBVWPURUFRR-UHFFFAOYSA-O
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Elements H C F N