Molecule SMILES: CN(C)C(=O)N1CC1
Rotational constants A, B, C (GHz): 3.74269, 1.6159, 1.23277
Dipole moment mu (Debye): 2.8971
Isotropic polarizability alpha (Bohr^3): 70.64
HOMO energy (Hartree): -0.2333
LUMO energy (Hartree): 0.0406
HOMO-LUMO gap (Hartree): 0.2739
Electronic spatial extent r2 (Bohr^2): 1014.3272
Zero-point vibrational energy (Hartree): 0.15318
Internal energy at 0 K (Hartree): -381.124234
Internal energy at 298.15 K (Hartree): -381.115276
Enthalpy at 298.15 K (Hartree): -381.114332
Free energy at 298.15 K (Hartree): -381.158273
Heat capacity at 298.15 K (cal/mol K): 31.097
Atomization energy at 0 K (kcal/mol): -1666.251630587
Atomization energy at 298.15 K (kcal/mol): -1676.627491902
Atomization enthalpy at 298.15 K (kcal/mol): -1686.704031424
Atomization free energy at 298.15 K (kcal/mol): -1546.867415828