Molecule SMILES: CCN(C)c1cocn1
Rotational constants A, B, C (GHz): 3.14014, 1.21212, 0.94981
Dipole moment mu (Debye): 1.4526
Isotropic polarizability alpha (Bohr^3): 78.35
HOMO energy (Hartree): -0.1864
LUMO energy (Hartree): 0.0132
HOMO-LUMO gap (Hartree): 0.1996
Electronic spatial extent r2 (Bohr^2): 1262.1367
Zero-point vibrational energy (Hartree): 0.159598
Internal energy at 0 K (Hartree): -419.228674
Internal energy at 298.15 K (Hartree): -419.219572
Enthalpy at 298.15 K (Hartree): -419.218628
Free energy at 298.15 K (Hartree): -419.263006
Heat capacity at 298.15 K (cal/mol K): 32.868
Atomization energy at 0 K (kcal/mol): -1827.9406195991
Atomization energy at 298.15 K (kcal/mol): -1839.1152998711
Atomization enthalpy at 298.15 K (kcal/mol): -1849.784207889
Atomization free energy at 298.15 K (kcal/mol): -1699.6131465721