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I.B.3. (II.A.2.)

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

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=1/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   187  
Energy 298.15K   163  
Atomization Enthalpy 298.15K x160x
Atomization Enthalpy 0K  160 
Entropy (298.15K) entropy  153 
Entropy at any temperature   153  
Integrated Heat Capacity integrated heat capacity  153 
Heat Capacity (Cp) Heat capacity  153 
Nuclear Repulsion Energy   180  
HOMO-LUMO Energies HOMO energies   174  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  157  
Internal Coordinates bond lengths bond angles  157 
Products of moments of inertia moments of inertia  171 
Rotational Constants rotational constants  176 
Point Group  177 
Vibrations Vibrational Frequencies vibrations  175 
Vibrational Intensities  174 
Zero-point energies  175 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   152  
Dipole dipole  154 
Quadrupole quadrupole  148 
Polarizability polarizability  133 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   3  
Conformations   1