National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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I.B.1.d.2.

Bonds types in CCCBDB

All species with C:N bond.

Species Name List all bonds Experimental data
C2H2N4 sym-tetrazine List all bonds Experimental data
C3H3N3 1,3,5-Triazine List all bonds Experimental data
C4H4N2 1,3-Diazine List all bonds Experimental data
C4H4N2 Pyrazine List all bonds Experimental data
C4H4N2 Pyridazine List all bonds Experimental data
C5H5N Pyridine List all bonds Experimental data
C5H6N+ Pyridinium List all bonds Experimental data
C6H7N 2-Methylpyridine List all bonds Experimental data
C5H5NO 2-Pyridinol List all bonds Experimental data
C5H5NO 3-Pyridinol List all bonds Experimental data
C5H5NO 4-Pyridinol List all bonds Experimental data
C5H4N4 purine List all bonds Experimental data
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- List all bonds Experimental data