2-Amino-7-(2-Fluoroethyl)-3H-Purine-1,9-Diium-5-Id-6-One

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Properties Simple | Detailed

Formula C7H9FN5O
IUPAC Name 2-amino-7-(2-fluoroethyl)-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 198.178 g·mol−1
Heat of Formation -106.4 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 211.93 Å 3
Surface Area 204.11 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey KVDLNVSKKZEHGF-UHFFFAOYSA-O
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