Molecule SMILES: CN(C)C1C2OC1C2O
Rotational constants A, B, C (GHz): 2.97809, 1.12204, 1.08559
Dipole moment mu (Debye): 2.0458
Isotropic polarizability alpha (Bohr^3): 76.15
HOMO energy (Hartree): -0.2096
LUMO energy (Hartree): 0.0622
HOMO-LUMO gap (Hartree): 0.2719
Electronic spatial extent r2 (Bohr^2): 1245.5673
Zero-point vibrational energy (Hartree): 0.168969
Internal energy at 0 K (Hartree): -440.18281
Internal energy at 298.15 K (Hartree): -440.173705
Enthalpy at 298.15 K (Hartree): -440.17276
Free energy at 298.15 K (Hartree): -440.216652
Heat capacity at 298.15 K (cal/mol K): 34.305
Atomization energy at 0 K (kcal/mol): -1811.0888654041
Atomization energy at 298.15 K (kcal/mol): -1823.150215893
Atomization enthalpy at 298.15 K (kcal/mol): -1834.411492407
Atomization free energy at 298.15 K (kcal/mol): -1675.820515328