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

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

Other names
Dimethylamine, N-nitro-; Dimethylnitramin; Dimethylnitramine; Methanamine, N-methyl-N-nitro-; Dmnm; DMNO; Methanamine, N-methyl-N-nitro-; N,N-Dimethylnitramine; N-Nitrodimethylamine; N-Nitro-dma; s-N,N-Dimethyl nitramine; N,N-dimethylnitramide;
INChI
InChI=1/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   189  
Energy 298.15K   165  
Atomization Enthalpy 298.15K x160x
Atomization Enthalpy 0K  160 
Entropy (298.15K) entropy  151 
Entropy at any temperature   151  
Integrated Heat Capacity integrated heat capacity  151 
Heat Capacity (Cp) Heat capacity  151 
Nuclear Repulsion Energy   182  
HOMO-LUMO Energies HOMO energies   176  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  157  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  174 
Rotational Constants rotational constants  179 
Point Group  179 
Vibrations Vibrational Frequencies vibrations  176 
Vibrational Intensities  175 
Zero-point energies  176 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   154  
Dipole dipole  155 
Quadrupole quadrupole  151 
Polarizability polarizability  136 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   3  
Conformations   1