Molecule SMILES: CN(C)C1(C)COC1=N
Rotational constants A, B, C (GHz): 2.19432, 1.42948, 1.37328
Dipole moment mu (Debye): 1.7834
Isotropic polarizability alpha (Bohr^3): 79.5
HOMO energy (Hartree): -0.2153
LUMO energy (Hartree): 0.0272
HOMO-LUMO gap (Hartree): 0.2425
Electronic spatial extent r2 (Bohr^2): 1127.0621
Zero-point vibrational energy (Hartree): 0.181641
Internal energy at 0 K (Hartree): -420.386957
Internal energy at 298.15 K (Hartree): -420.37727
Enthalpy at 298.15 K (Hartree): -420.376325
Free energy at 298.15 K (Hartree): -420.421212
Heat capacity at 298.15 K (cal/mol K): 36.203
Atomization energy at 0 K (kcal/mol): -1926.922006732
Atomization energy at 298.15 K (kcal/mol): -1939.5066997271
Atomization enthalpy at 298.15 K (kcal/mol): -1951.360972246
Atomization free energy at 298.15 K (kcal/mol): -1785.1752537401