Molecule SMILES: CN(C)C(=O)CN1CC1
Rotational constants A, B, C (GHz): 3.0221, 1.03317, 0.88517
Dipole moment mu (Debye): 2.5592
Isotropic polarizability alpha (Bohr^3): 81.79
HOMO energy (Hartree): -0.2322
LUMO energy (Hartree): 0.0269
HOMO-LUMO gap (Hartree): 0.2591
Electronic spatial extent r2 (Bohr^2): 1406.1136
Zero-point vibrational energy (Hartree): 0.1816
Internal energy at 0 K (Hartree): -420.396738
Internal energy at 298.15 K (Hartree): -420.386541
Enthalpy at 298.15 K (Hartree): -420.385596
Free energy at 298.15 K (Hartree): -420.432707
Heat capacity at 298.15 K (cal/mol K): 35.922
Atomization energy at 0 K (kcal/mol): -1933.0596722611
Atomization energy at 298.15 K (kcal/mol): -1945.324335666
Atomization enthalpy at 298.15 K (kcal/mol): -1957.178608185
Atomization free energy at 298.15 K (kcal/mol): -1792.388469695