Molecule SMILES: CNC(=O)N(C)C(=O)N
Rotational constants A, B, C (GHz): 2.74593, 1.26204, 0.8748
Dipole moment mu (Debye): 3.0777
Isotropic polarizability alpha (Bohr^3): 71.52
HOMO energy (Hartree): -0.2429
LUMO energy (Hartree): 0.0216
HOMO-LUMO gap (Hartree): 0.2645
Electronic spatial extent r2 (Bohr^2): 1301.6184
Zero-point vibrational energy (Hartree): 0.147242
Internal energy at 0 K (Hartree): -472.487851
Internal energy at 298.15 K (Hartree): -472.477666
Enthalpy at 298.15 K (Hartree): -472.476721
Free energy at 298.15 K (Hartree): -472.524166
Heat capacity at 298.15 K (cal/mol K): 35.569
Atomization energy at 0 K (kcal/mol): -1705.296495585
Atomization energy at 298.15 K (kcal/mol): -1714.901775848
Atomization enthalpy at 298.15 K (kcal/mol): -1724.977060352
Atomization free energy at 298.15 K (kcal/mol): -1584.3347232