Molecule SMILES: CC1C2OC1C2N(C)C
Rotational constants A, B, C (GHz): 3.16223, 1.05936, 1.05377
Dipole moment mu (Debye): 1.9661
Isotropic polarizability alpha (Bohr^3): 83.48
HOMO energy (Hartree): -0.2179
LUMO energy (Hartree): 0.0723
HOMO-LUMO gap (Hartree): 0.2902
Electronic spatial extent r2 (Bohr^2): 1321.1787
Zero-point vibrational energy (Hartree): 0.192618
Internal energy at 0 K (Hartree): -404.263124
Internal energy at 298.15 K (Hartree): -404.253795
Enthalpy at 298.15 K (Hartree): -404.25285
Free energy at 298.15 K (Hartree): -404.297019
Heat capacity at 298.15 K (cal/mol K): 35.532
Atomization energy at 0 K (kcal/mol): -1997.8198560791
Atomization energy at 298.15 K (kcal/mol): -2011.5183775491
Atomization enthalpy at 298.15 K (kcal/mol): -2023.965646073
Atomization free energy at 298.15 K (kcal/mol): -1849.46982588