Molecule SMILES: CCCN(C)C(=O)NC
Rotational constants A, B, C (GHz): 3.24149, 0.83921, 0.7084
Dipole moment mu (Debye): 3.5519
Isotropic polarizability alpha (Bohr^3): 84.84
HOMO energy (Hartree): -0.2234
LUMO energy (Hartree): 0.0699
HOMO-LUMO gap (Hartree): 0.2933
Electronic spatial extent r2 (Bohr^2): 1700.1624
Zero-point vibrational energy (Hartree): 0.204198
Internal energy at 0 K (Hartree): -421.647653
Internal energy at 298.15 K (Hartree): -421.635873
Enthalpy at 298.15 K (Hartree): -421.634929
Free energy at 298.15 K (Hartree): -421.686123
Heat capacity at 298.15 K (cal/mol K): 40.052
Atomization energy at 0 K (kcal/mol): -2090.168473082
Atomization energy at 298.15 K (kcal/mol): -2103.2168952281
Atomization enthalpy at 298.15 K (kcal/mol): -2116.257787266
Atomization free energy at 298.15 K (kcal/mol): -1937.695708753