Molecule SMILES: CC(N(C)C)C(=O)C=O
Rotational constants A, B, C (GHz): 2.52314, 1.12076, 0.95719
Dipole moment mu (Debye): 1.3317
Isotropic polarizability alpha (Bohr^3): 77.24
HOMO energy (Hartree): -0.22
LUMO energy (Hartree): -0.0954
HOMO-LUMO gap (Hartree): 0.1246
Electronic spatial extent r2 (Bohr^2): 1329.032
Zero-point vibrational energy (Hartree): 0.167028
Internal energy at 0 K (Hartree): -440.28161
Internal energy at 298.15 K (Hartree): -440.271052
Enthalpy at 298.15 K (Hartree): -440.270108
Free energy at 298.15 K (Hartree): -440.317546
Heat capacity at 298.15 K (cal/mol K): 37.133
Atomization energy at 0 K (kcal/mol): -1873.086754604
Atomization energy at 298.15 K (kcal/mol): -1884.2363345161
Atomization enthalpy at 298.15 K (kcal/mol): -1895.498238539
Atomization free energy at 298.15 K (kcal/mol): -1739.132408374