Molecule SMILES: CC1N(CCO)C1(C)C
Rotational constants A, B, C (GHz): 2.10825, 1.12466, 0.96383
Dipole moment mu (Debye): 3.1659
Isotropic polarizability alpha (Bohr^3): 86.9
HOMO energy (Hartree): -0.2265
LUMO energy (Hartree): 0.0745
HOMO-LUMO gap (Hartree): 0.3009
Electronic spatial extent r2 (Bohr^2): 1418.5761
Zero-point vibrational energy (Hartree): 0.214965
Internal energy at 0 K (Hartree): -405.526116
Internal energy at 298.15 K (Hartree): -405.515157
Enthalpy at 298.15 K (Hartree): -405.514212
Free energy at 298.15 K (Hartree): -405.562055
Heat capacity at 298.15 K (cal/mol K): 40.56
Atomization energy at 0 K (kcal/mol): -2162.507083093
Atomization energy at 298.15 K (kcal/mol): -2176.959870381
Atomization enthalpy at 298.15 K (kcal/mol): -2190.593130915
Atomization free energy at 298.15 K (kcal/mol): -2002.068719518