Molecule SMILES: C1CN(C1)C2COC2
Rotational constants A, B, C (GHz): 5.57569, 1.26712, 1.10334
Dipole moment mu (Debye): 2.5256
Isotropic polarizability alpha (Bohr^3): 72.11
HOMO energy (Hartree): -0.2199
LUMO energy (Hartree): 0.0719
HOMO-LUMO gap (Hartree): 0.2919
Electronic spatial extent r2 (Bohr^2): 1094.0108
Zero-point vibrational energy (Hartree): 0.166435
Internal energy at 0 K (Hartree): -365.006664
Internal energy at 298.15 K (Hartree): -364.998928
Enthalpy at 298.15 K (Hartree): -364.997984
Free energy at 298.15 K (Hartree): -365.039851
Heat capacity at 298.15 K (cal/mol K): 27.907
Atomization energy at 0 K (kcal/mol): -1741.079568801
Atomization energy at 298.15 K (kcal/mol): -1753.111426367
Atomization enthalpy at 298.15 K (kcal/mol): -1763.780961894
Atomization free energy at 298.15 K (kcal/mol): -1614.783342407