Molecule SMILES: CC1(C)OC(=N)N2CC12
Rotational constants A, B, C (GHz): 2.61581, 1.59341, 1.32389
Dipole moment mu (Debye): 4.3374
Isotropic polarizability alpha (Bohr^3): 76.57
HOMO energy (Hartree): -0.2519
LUMO energy (Hartree): 0.032
HOMO-LUMO gap (Hartree): 0.2839
Electronic spatial extent r2 (Bohr^2): 1052.3833
Zero-point vibrational energy (Hartree): 0.15915
Internal energy at 0 K (Hartree): -419.210756
Internal energy at 298.15 K (Hartree): -419.202383
Enthalpy at 298.15 K (Hartree): -419.201439
Free energy at 298.15 K (Hartree): -419.243346
Heat capacity at 298.15 K (cal/mol K): 32.685
Atomization energy at 0 K (kcal/mol): -1816.696913337
Atomization energy at 298.15 K (kcal/mol): -1828.32904767
Atomization enthalpy at 298.15 K (kcal/mol): -1838.997955688
Atomization free energy at 298.15 K (kcal/mol): -1687.276319632