Molecule SMILES: CC(C)CN(C)C(=O)N
Rotational constants A, B, C (GHz): 2.74251, 0.98913, 0.85303
Dipole moment mu (Debye): 3.6086
Isotropic polarizability alpha (Bohr^3): 83.28
HOMO energy (Hartree): -0.2281
LUMO energy (Hartree): 0.0627
HOMO-LUMO gap (Hartree): 0.2908
Electronic spatial extent r2 (Bohr^2): 1486.3365
Zero-point vibrational energy (Hartree): 0.204586
Internal energy at 0 K (Hartree): -421.654422
Internal energy at 298.15 K (Hartree): -421.643241
Enthalpy at 298.15 K (Hartree): -421.642297
Free energy at 298.15 K (Hartree): -421.691047
Heat capacity at 298.15 K (cal/mol K): 40.364
Atomization energy at 0 K (kcal/mol): -2094.4160815031
Atomization energy at 298.15 K (kcal/mol): -2107.8403815401
Atomization enthalpy at 298.15 K (kcal/mol): -2120.881273578
Atomization free energy at 298.15 K (kcal/mol): -1940.7855630691