Molecule SMILES: CC1N(C)C11COC1=N
Rotational constants A, B, C (GHz): 2.65664, 1.2154, 1.19989
Dipole moment mu (Debye): 3.6584
Isotropic polarizability alpha (Bohr^3): 78.66
HOMO energy (Hartree): -0.2359
LUMO energy (Hartree): 0.0181
HOMO-LUMO gap (Hartree): 0.2541
Electronic spatial extent r2 (Bohr^2): 1180.8851
Zero-point vibrational energy (Hartree): 0.157987
Internal energy at 0 K (Hartree): -419.170778
Internal energy at 298.15 K (Hartree): -419.161582
Enthalpy at 298.15 K (Hartree): -419.160638
Free energy at 298.15 K (Hartree): -419.204667
Heat capacity at 298.15 K (cal/mol K): 33.666
Atomization energy at 0 K (kcal/mol): -1791.610358535
Atomization energy at 298.15 K (kcal/mol): -1802.7260529611
Atomization enthalpy at 298.15 K (kcal/mol): -1813.394960979
Atomization free energy at 298.15 K (kcal/mol): -1663.004899021