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

All data (experiment and calculated) in the CCCBDB for CH2NCH3 (N-methylmethanimine)

Other names
2-Azapropene; N-methylenemethanamine;
INChI
InChI=1S/C2H5N/c1-3-2/h1H2,2H3

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   218  
Energy 298.15K   11  
Atomization Enthalpy 298.15K x0x
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   213  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles x212x
Products of moments of inertia moments of inertia x204x
Rotational Constants rotational constants x212x
Point Group  214 
Vibrations Vibrational Frequencies vibrations  222 
Vibrational Intensities  216 
Zero-point energies  222 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   130  
Dipole dipole x134x
Quadrupole quadrupole  130 
Polarizability polarizability  130 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   1