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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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Geometry for C5H5NO (2(5H)-Pyridinone)
1A' CS
1910171554
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1,3-4H,2H2 INChIKey=CSMMEAYSMCAJPJ-UHFFFAOYSA-N
B1B95/TZVP
Point group is not available
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Atom - Atom Distances (Å)
Maximum atom distance is 0.0000Å
between atoms and .
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.