Molecule SMILES: C1CC2(C1)COC(=N2)N
Rotational constants A, B, C (GHz): 4.1536, 1.12342, 1.03588
Dipole moment mu (Debye): 1.4929
Isotropic polarizability alpha (Bohr^3): 77.56
HOMO energy (Hartree): -0.2171
LUMO energy (Hartree): 0.0577
HOMO-LUMO gap (Hartree): 0.2748
Electronic spatial extent r2 (Bohr^2): 1210.3231
Zero-point vibrational energy (Hartree): 0.161276
Internal energy at 0 K (Hartree): -419.225725
Internal energy at 298.15 K (Hartree): -419.217537
Enthalpy at 298.15 K (Hartree): -419.216593
Free energy at 298.15 K (Hartree): -419.259119
Heat capacity at 298.15 K (cal/mol K): 31.588
Atomization energy at 0 K (kcal/mol): -1826.090095558
Atomization energy at 298.15 K (kcal/mol): -1837.838319056
Atomization enthalpy at 298.15 K (kcal/mol): -1848.507227074
Atomization free energy at 298.15 K (kcal/mol): -1697.174019089