Molecule SMILES: CC1CN(C)C(=O)O1
Rotational constants A, B, C (GHz): 3.666, 1.75413, 1.26086
Dipole moment mu (Debye): 4.7863
Isotropic polarizability alpha (Bohr^3): 65.42
HOMO energy (Hartree): -0.2449
LUMO energy (Hartree): 0.0569
HOMO-LUMO gap (Hartree): 0.3018
Electronic spatial extent r2 (Bohr^2): 973.1491
Zero-point vibrational energy (Hartree): 0.142759
Internal energy at 0 K (Hartree): -401.060645
Internal energy at 298.15 K (Hartree): -401.052571
Enthalpy at 298.15 K (Hartree): -401.051627
Free energy at 298.15 K (Hartree): -401.093275
Heat capacity at 298.15 K (cal/mol K): 28.781
Atomization energy at 0 K (kcal/mol): -1638.6198992811
Atomization energy at 298.15 K (kcal/mol): -1648.6619258081
Atomization enthalpy at 298.15 K (kcal/mol): -1658.145469325
Atomization free energy at 298.15 K (kcal/mol): -1525.089088474