4-[(E)-2-(1-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-2-Yl)Vinyl]-5H-Pyrimidine-1,3-Diium-5-Id-2-Amine
Properties
Property | Value |
---|---|
Formula | C10H10N6O2 |
IUPAC Name | 4-[(e)-2-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)vinyl]-5h-pyrimidine-1,3-diium-5-id-2-amine |
Molecular Mass | 246.225 g·mol−1 |
Heat of Formation | 345.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.00 ± 1.08 D |
Volume | 274.14 Å 3 |
Surface Area | 265.27 Å 2 |
HOMO Energy | -9.46 ± 0.55 eV |
LUMO Energy | 1.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | TWMNKGOPCBFFTD-NSCUHMNNSA-N |
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Elements | H C O N |