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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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You are here: Experimental > One molecule all properties |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/CO2/c2-1-3/q+1 | PCDPTONYKSNEJX-UHFFFAOYSA-N | [O][C+]=O |
State | Conformation |
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2Πg | D*H |
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 |