Molecule SMILES: CC(C)(C)N(C)C(=O)N
Rotational constants A, B, C (GHz): 2.3304, 1.34601, 1.07702
Dipole moment mu (Debye): 3.2079
Isotropic polarizability alpha (Bohr^3): 82.44
HOMO energy (Hartree): -0.2285
LUMO energy (Hartree): 0.0512
HOMO-LUMO gap (Hartree): 0.2797
Electronic spatial extent r2 (Bohr^2): 1260.2667
Zero-point vibrational energy (Hartree): 0.20431
Internal energy at 0 K (Hartree): -421.647653
Internal energy at 298.15 K (Hartree): -421.636859
Enthalpy at 298.15 K (Hartree): -421.635915
Free energy at 298.15 K (Hartree): -421.682605
Heat capacity at 298.15 K (cal/mol K): 41.103
Atomization energy at 0 K (kcal/mol): -2090.168473082
Atomization energy at 298.15 K (kcal/mol): -2103.835619102
Atomization enthalpy at 298.15 K (kcal/mol): -2116.87651114
Atomization free energy at 298.15 K (kcal/mol): -1935.488132091