Formula |
C3H3N3O2 |
IUPAC Name |
5-nitroimidazol-1-ium-5-ylium |
Molecular Mass |
113.075 g·mol−1 |
Heat of Formation |
137.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.80 ± 1.08 D |
Volume |
118.09 Å 3 |
Surface Area |
130.32 Å 2 |
HOMO Energy |
-10.72 ± 0.55 eV |
LUMO Energy |
1.62 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 1h-imidazole, 4-nitro-
- 4(5)-nitroimidazole
- 4-nitro-1h-imidazole
- 4-nitro-1h-imidazole (9ci)
- 4-nitro-3h-imidazole
- 5-nitroimidazole
- ab-323/25048517
- cl 205086
- imidazole, 4-nitro-
- zero/008337
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CAS Number(s) |
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InChIKey |
VYDWQPKRHOGLPA-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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