Molecule SMILES: CN(C)Cc1conn1
Rotational constants A, B, C (GHz): 4.37444, 0.8956, 0.86194
Dipole moment mu (Debye): 3.8576
Isotropic polarizability alpha (Bohr^3): 74.37
HOMO energy (Hartree): -0.2294
LUMO energy (Hartree): -0.0374
HOMO-LUMO gap (Hartree): 0.1919
Electronic spatial extent r2 (Bohr^2): 1390.8619
Zero-point vibrational energy (Hartree): 0.146753
Internal energy at 0 K (Hartree): -435.226603
Internal energy at 298.15 K (Hartree): -435.217807
Enthalpy at 298.15 K (Hartree): -435.216863
Free energy at 298.15 K (Hartree): -435.260962
Heat capacity at 298.15 K (cal/mol K): 31.668
Atomization energy at 0 K (kcal/mol): -1678.0368771161
Atomization energy at 298.15 K (kcal/mol): -1688.514394889
Atomization enthalpy at 298.15 K (kcal/mol): -1698.590306902
Atomization free energy at 298.15 K (kcal/mol): -1556.103720799