Molecule SMILES: CCN(C(C)C)C(=O)N
Rotational constants A, B, C (GHz): 1.84961, 1.39039, 1.00048
Dipole moment mu (Debye): 3.5338
Isotropic polarizability alpha (Bohr^3): 83.09
HOMO energy (Hartree): -0.2271
LUMO energy (Hartree): 0.0627
HOMO-LUMO gap (Hartree): 0.2898
Electronic spatial extent r2 (Bohr^2): 1341.5695
Zero-point vibrational energy (Hartree): 0.204598
Internal energy at 0 K (Hartree): -421.655075
Internal energy at 298.15 K (Hartree): -421.644061
Enthalpy at 298.15 K (Hartree): -421.643117
Free energy at 298.15 K (Hartree): -421.69113
Heat capacity at 298.15 K (cal/mol K): 40.572
Atomization energy at 0 K (kcal/mol): -2094.8258448801
Atomization energy at 298.15 K (kcal/mol): -2108.3549389201
Atomization enthalpy at 298.15 K (kcal/mol): -2121.395830958
Atomization free energy at 298.15 K (kcal/mol): -1940.837646316