3-{(E)-[(5-Nitro-2-Furyl)Methylene]Amino}-1,3-Oxazol-2(3H)-One

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Properties Simple | Detailed

Formula C8H5N3O5
IUPAC Name 3-[(e)-(5-nitro-2-furyl)methyleneamino]oxazole-1,3-diium-2-one
Molecular Mass 223.142 g·mol−1
Heat of Formation -55.1 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 228.65 Å 3
Surface Area 229.72 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry Cs
InChIKey OEJYWOUVKXLNIN-WEVVVXLNSA-N
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