5-(4-Fluorophenyl)-1H-Pyrrolo[2,3-D]Pyrimidine-2,4-Diamine

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Formula C12H11FN5+
IUPAC Name 5-(4-fluorophenyl)pyrrolo[2,3-d]pyrimidin-1-ium-2,4-diamine
Molecular Mass 244.248 g·mol−1
Heat of Formation 168.7 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 270.25 Å 3
Surface Area 250.78 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey SVEXZYXFUHRTHZ-UHFFFAOYSA-N
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Elements H C N F