Molecule SMILES: CC1NC(C)(C)C1=NO
Rotational constants A, B, C (GHz): 2.12382, 1.38507, 1.06525
Dipole moment mu (Debye): 1.1041
Isotropic polarizability alpha (Bohr^3): 82.83
HOMO energy (Hartree): -0.2271
LUMO energy (Hartree): 0.0062
HOMO-LUMO gap (Hartree): 0.2333
Electronic spatial extent r2 (Bohr^2): 1256.5939
Zero-point vibrational energy (Hartree): 0.179872
Internal energy at 0 K (Hartree): -420.355344
Internal energy at 298.15 K (Hartree): -420.345047
Enthalpy at 298.15 K (Hartree): -420.344103
Free energy at 298.15 K (Hartree): -420.39009
Heat capacity at 298.15 K (cal/mol K): 38.404
Atomization energy at 0 K (kcal/mol): -1907.0845647151
Atomization energy at 298.15 K (kcal/mol): -1919.2864772201
Atomization enthalpy at 298.15 K (kcal/mol): -1931.141377248
Atomization free energy at 298.15 K (kcal/mol): -1765.645918642