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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 |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/F2HN/c1-3-2/h3H | ULFHSQLFQYTZLS-UHFFFAOYSA-N | FNF |
State | Conformation |
---|---|
1A' | CS |
Property | Value | Uncertainty | units | Reference | Comment |
---|
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | A' | 3193 | webbook | NH stretch | |||||
2 | A' | 1307 | NH bend | ||||||
3 | A' | 972 | NF2 s-str | ||||||
4 | A' | 500 | NF2 sciss | ||||||
5 | A" | 1424 | NH bend | ||||||
6 | A" | 888 | NF2 a-str |
A | B | C | reference | comment |
---|---|---|---|---|
1.76846 | 0.36343 | 0.31046 | 1963Lid:456 |
Product of moments of inertia ![]() | ||||
---|---|---|---|---|
24008.84 | amu3Å6 | 1.0993581434032E-115 | gm3 cm6 |