4-(2-Ethynyl-5-Nitro-3-Furyl)-6-Methyl-5H-Pyrimidine-1,3-Diium-5-Id-2-Amine
Properties
Property | Value |
---|---|
Formula | C11H8N4O3 |
IUPAC Name | 4-(2-ethynyl-5-nitro-3-furyl)-6-methyl-5h-pyrimidine-1,3-diium-5-id-2-amine |
Molecular Mass | 244.206 g·mol−1 |
Heat of Formation | 345.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.56 ± 1.08 D |
Volume | 270.55 Å 3 |
Surface Area | 260.38 Å 2 |
HOMO Energy | -9.40 ± 0.55 eV |
LUMO Energy | 1.46 ± eV |
Point Group Symmetry | C1 |
InChIKey | VQTIIFADNKKUHM-UHFFFAOYSA-N |
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Elements | H C O N |