Molecule SMILES: CC1OC(=N)OC1(C)C
Rotational constants A, B, C (GHz): 2.2855, 1.57525, 1.24233
Dipole moment mu (Debye): 4.4904
Isotropic polarizability alpha (Bohr^3): 76.1
HOMO energy (Hartree): -0.2475
LUMO energy (Hartree): 0.0615
HOMO-LUMO gap (Hartree): 0.309
Electronic spatial extent r2 (Bohr^2): 1120.1593
Zero-point vibrational energy (Hartree): 0.169892
Internal energy at 0 K (Hartree): -440.328242
Internal energy at 298.15 K (Hartree): -440.319117
Enthalpy at 298.15 K (Hartree): -440.318173
Free energy at 298.15 K (Hartree): -440.361633
Heat capacity at 298.15 K (cal/mol K): 35.038
Atomization energy at 0 K (kcal/mol): -1902.348754292
Atomization energy at 298.15 K (kcal/mol): -1914.397554601
Atomization enthalpy at 298.15 K (kcal/mol): -1925.659458624
Atomization free energy at 298.15 K (kcal/mol): -1766.797397657