Molecule SMILES: CN1CC(=O)N(C)C1=N
Rotational constants A, B, C (GHz): 2.55726, 1.60592, 1.00574
Dipole moment mu (Debye): 0.6839
Isotropic polarizability alpha (Bohr^3): 76.32
HOMO energy (Hartree): -0.2253
LUMO energy (Hartree): 0.0015
HOMO-LUMO gap (Hartree): 0.2268
Electronic spatial extent r2 (Bohr^2): 1161.9402
Zero-point vibrational energy (Hartree): 0.148173
Internal energy at 0 K (Hartree): -435.328103
Internal energy at 298.15 K (Hartree): -435.318771
Enthalpy at 298.15 K (Hartree): -435.317827
Free energy at 298.15 K (Hartree): -435.362814
Heat capacity at 298.15 K (cal/mol K): 32.688
Atomization energy at 0 K (kcal/mol): -1741.729040616
Atomization energy at 298.15 K (kcal/mol): -1751.870213565
Atomization enthalpy at 298.15 K (kcal/mol): -1761.946125578
Atomization free energy at 298.15 K (kcal/mol): -1620.016767467