Molecule SMILES: CC1OC(=O)N(C)C1=O
Rotational constants A, B, C (GHz): 2.35639, 1.74593, 1.07393
Dipole moment mu (Debye): 1.4841
Isotropic polarizability alpha (Bohr^3): 66.47
HOMO energy (Hartree): -0.274
LUMO energy (Hartree): -0.0175
HOMO-LUMO gap (Hartree): 0.2565
Electronic spatial extent r2 (Bohr^2): 1092.8605
Zero-point vibrational energy (Hartree): 0.12413
Internal energy at 0 K (Hartree): -475.122006
Internal energy at 298.15 K (Hartree): -475.113281
Enthalpy at 298.15 K (Hartree): -475.112337
Free energy at 298.15 K (Hartree): -475.155992
Heat capacity at 298.15 K (cal/mol K): 30.556
Atomization energy at 0 K (kcal/mol): -1636.9431952331
Atomization energy at 298.15 K (kcal/mol): -1645.688160657
Atomization enthalpy at 298.15 K (kcal/mol): -1654.57808066
Atomization free energy at 298.15 K (kcal/mol): -1528.251106325