Molecule SMILES: CC(C)N(C)C(=O)NC
Rotational constants A, B, C (GHz): 2.98677, 0.95259, 0.86498
Dipole moment mu (Debye): 3.5098
Isotropic polarizability alpha (Bohr^3): 84.45
HOMO energy (Hartree): -0.2239
LUMO energy (Hartree): 0.0666
HOMO-LUMO gap (Hartree): 0.2905
Electronic spatial extent r2 (Bohr^2): 1505.6474
Zero-point vibrational energy (Hartree): 0.203794
Internal energy at 0 K (Hartree): -421.648575
Internal energy at 298.15 K (Hartree): -421.636937
Enthalpy at 298.15 K (Hartree): -421.635993
Free energy at 298.15 K (Hartree): -421.686064
Heat capacity at 298.15 K (cal/mol K): 40.715
Atomization energy at 0 K (kcal/mol): -2090.74703638
Atomization energy at 298.15 K (kcal/mol): -2103.884564804
Atomization enthalpy at 298.15 K (kcal/mol): -2116.925456842
Atomization free energy at 298.15 K (kcal/mol): -1937.658685722