Molecule SMILES: CN(C)C(=O)C(=O)N
Rotational constants A, B, C (GHz): 3.3864, 1.6957, 1.14617
Dipole moment mu (Debye): 0.7723
Isotropic polarizability alpha (Bohr^3): 64.33
HOMO energy (Hartree): -0.236
LUMO energy (Hartree): -0.031
HOMO-LUMO gap (Hartree): 0.205
Electronic spatial extent r2 (Bohr^2): 1012.0369
Zero-point vibrational energy (Hartree): 0.129667
Internal energy at 0 K (Hartree): -417.119409
Internal energy at 298.15 K (Hartree): -417.110231
Enthalpy at 298.15 K (Hartree): -417.109287
Free energy at 298.15 K (Hartree): -417.154422
Heat capacity at 298.15 K (cal/mol K): 31.539
Atomization energy at 0 K (kcal/mol): -1526.8906668131
Atomization energy at 298.15 K (kcal/mol): -1535.350743151
Atomization enthalpy at 298.15 K (kcal/mol): -1544.241290663
Atomization free energy at 298.15 K (kcal/mol): -1421.23258392