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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > One molecule all properties |
Other names |
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Nitrosamine; N-Nitrosamine; Nitrous amide; Nitroxylamide; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/H2N2O/c1-2-3/h(H2,1,3) | XKLJHFLUAHKGGU-UHFFFAOYSA-N | O=NN |
State | Conformation |
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1A | C1 |
Property | Value | Uncertainty | units | Reference | Comment |
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Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
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Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
4 | A | 1522 | webbook | ||||||
5 | A | 1203 | webbook | ||||||
6 | A | 1059 | webbook |
A | B | C | reference | comment |
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