Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Bond type | Species | Name | Angle | Comment |
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aC=NC | C3H3NO | Oxazole | 103.90 | |
aC=NC | C3H4N2 | 1H-Imidazole | 104.93 | |
Average | 104.42 | ±0.73 | ||
Min | 103.90 | |||
Max | 104.93 |