Molecule SMILES: CN(C)C(=O)NC=O
Rotational constants A, B, C (GHz): 4.41801, 1.3016, 1.03386
Dipole moment mu (Debye): 6.5282
Isotropic polarizability alpha (Bohr^3): 65.45
HOMO energy (Hartree): -0.2459
LUMO energy (Hartree): -0.0062
HOMO-LUMO gap (Hartree): 0.2396
Electronic spatial extent r2 (Bohr^2): 1109.6044
Zero-point vibrational energy (Hartree): 0.129024
Internal energy at 0 K (Hartree): -417.107013
Internal energy at 298.15 K (Hartree): -417.097716
Enthalpy at 298.15 K (Hartree): -417.096772
Free energy at 298.15 K (Hartree): -417.141988
Heat capacity at 298.15 K (cal/mol K): 30.852
Atomization energy at 0 K (kcal/mol): -1519.112065249
Atomization energy at 298.15 K (kcal/mol): -1527.497468016
Atomization enthalpy at 298.15 K (kcal/mol): -1536.388015528
Atomization free energy at 298.15 K (kcal/mol): -1413.430137014