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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: Calculated > Energy > Internal Rotation > Barriers to internal rotation |
Which torsion in CH3COCH2CH3?
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choose | Atom1 | Atom2 | Atom3 | Atom4 | Type of Rotor | explanation |
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torsion 1 | 1 | 2 | 3 | 4 | CH2CH3 | |
torsion 2 | 9 | 4 | 3 | 2 | CH3 | methyl on ethyl |
torsion 3 | 6 | 1 | 2 | 3 | CH3 | methyl on CO |