6-Ethyl-5-(4-Fluoro-3-Nitro-Phenyl)Pyrimidine-1,3-Diium-5-Ide-2,4-Diamine

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Properties Simple | Detailed

Formula C12H12FN5O2
IUPAC Name 6-ethyl-5-(4-fluoro-3-nitro-phenyl)pyrimidine-1,3-diium-5-ide-2,4-diamine
Molecular Mass 277.254 g·mol−1
Heat of Formation 5.6 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 306.76 Å 3
Surface Area 275.82 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey IUBWAOOWLCGTHR-UHFFFAOYSA-N
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