6-Ethyl-5-(4-Fluoro-3-Nitro-Phenyl)Pyrimidine-1,3-Diium-5-Ide-2,4-Diamine
Properties
Property | Value |
---|---|
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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Elements | H C N O F |