Structure for Pentane, 3-iodo-3-methyl
Notes
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IR frequencies derived from structure calulation
IR frequencies derived from the computation which produced the structure are shown in the plot below. These data are not adjusted for any expected biases in the computational method.
Notice: A plot could not be displayed here becuse plotting data currently requires a JavaScript and HTML 5 canvas enabled browser.
Note: Numeric values for the IR frequencies are avialable in the SD file.
Additional information about this structure
| Owner: | Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Computation date: | 2014-06-10 |
| Contributor(s): | Sonia Dermer |
| Computational method: | B3LYP/GENECP |
| Computational software: | Gaussian 09, Revision D.01 |
| Electronic energy: | -247.898010015 hartree |
| Dipole moment: | 3.0674 debye |
| Rotational constants: | 1.55029 GHz 1.21836 GHz 0.81664 GHz |