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All data (experiment and calculated) in the CCCBDB for C2H6N2O2 (Dimethylnitroamine)

1907021335
Other names
Dimethylamine, N-nitro-; Dimethylnitramin; Dimethylnitramine; Methanamine, N-methyl-N-nitro-; Dmnm; DMNO; N,N-Dimethylnitramine; N-Nitrodimethylamine; N-Nitro-dma; s-N,N-Dimethyl nitramine; N,N-dimethylnitramide;
INChI
InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3

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   212  
Energy 298.15K   207  
Atomization Enthalpy 298.15K x152x
Atomization Enthalpy 0K  151 
Entropy (298.15K) entropy  143 
Entropy at any temperature   143  
Integrated Heat Capacity integrated heat capacity  143 
Heat Capacity (Cp) Heat capacity  143 
Nuclear Repulsion Energy   200  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  178  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  197 
Rotational Constants rotational constants  202 
Point Group  202 
Vibrations Vibrational Frequencies vibrations  198 
Vibrational Intensities  207 
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   173  
Dipole dipole  177 
Quadrupole quadrupole  172 
Polarizability polarizability  161 
Other results Spin   0  
Number of basis functions   5  
Conformations   1