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All data (experiment and calculated) in the CCCBDB for C4H7NO (Methacrylamide)

1907021335
Other names
α-Methyl acrylic amide; 2-Methylacrylamide; 2-Methylpropenamide; 2-Propenamide, 2-methyl-; Amid kyseliny methakrylove; Methacryamide; Methacrylamide; Methacrylic acid amide; Methacrylic amide; Methylacrylic amide; Mhoromer bm801; USAF rh-1; alpha-Methyl acrylic amide;
INChI
InChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   211  
Energy 298.15K   207  
Atomization Enthalpy 298.15K x154x
Atomization Enthalpy 0K  153 
Entropy (298.15K) entropy  147 
Entropy at any temperature   147  
Integrated Heat Capacity integrated heat capacity  147 
Heat Capacity (Cp) Heat capacity  147 
Nuclear Repulsion Energy   201  
HOMO-LUMO Energies HOMO energies   198  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  180  
Internal Coordinates bond lengths bond angles  179 
Products of moments of inertia moments of inertia  195 
Rotational Constants rotational constants  200 
Point Group  201 
Vibrations Vibrational Frequencies vibrations  198 
Vibrational Intensities  206 
Zero-point energies  198 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   172  
Dipole dipole  177 
Quadrupole quadrupole  170 
Polarizability polarizability  159 
Other results Spin   0  
Number of basis functions   3  
Conformations   1