Molecule SMILES: CCN1CC1COC
Rotational constants A, B, C (GHz): 3.26032, 1.24891, 1.04043
Dipole moment mu (Debye): 1.9909
Isotropic polarizability alpha (Bohr^3): 76.62
HOMO energy (Hartree): -0.2175
LUMO energy (Hartree): 0.0795
HOMO-LUMO gap (Hartree): 0.2969
Electronic spatial extent r2 (Bohr^2): 1236.9569
Zero-point vibrational energy (Hartree): 0.187219
Internal energy at 0 K (Hartree): -366.218324
Internal energy at 298.15 K (Hartree): -366.208793
Enthalpy at 298.15 K (Hartree): -366.207849
Free energy at 298.15 K (Hartree): -366.252979
Heat capacity at 298.15 K (cal/mol K): 33.756
Atomization energy at 0 K (kcal/mol): -1873.555503827
Atomization energy at 298.15 K (kcal/mol): -1886.2380882261
Atomization enthalpy at 298.15 K (kcal/mol): -1898.093615763
Atomization free energy at 298.15 K (kcal/mol): -1734.809498873