Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
C2H5NO3 | Nitric acid, ethyl ester |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rNO | 1.215 | 1974Riv/Wil:1376 | 1 | 3 | |||
rNO | 1.215 | 1974Riv/Wil:1376 | 1 | 4 | |||
rNO | 1.407 | 1974Riv/Wil:1376 | 1 | 2 | |||
rCO | 1.430 | 1974Riv/Wil:1376 | 2 | 5 | |||
rCC | 1.528 | 1974Riv/Wil:1376 | 5 | 6 | |||
aONO | 111.0 | 1974Riv/Wil:1376 | 2 | 1 | 3 | ||
aONO | 118.0 | 1974Riv/Wil:1376 | 2 | 1 | 4 | ||
aCON | 111.0 | 1974Riv/Wil:1376 | 1 | 2 | 5 | ||
aCCO | 109.5 | 1974Riv/Wil:1376 | !assumed | 2 | 5 | 6 |
squib | reference |
---|---|
1974Riv/Wil:1376 | DG Scroggin, JM Riveros, EB Wilson, "Microwave spectrum and rotational isomerism of ethyl nitrate" J. Chem. Phys. 60, 1376, 1974 |