Molecule SMILES: CN(C)c1conn1
Rotational constants A, B, C (GHz): 4.72123, 1.61693, 1.23647
Dipole moment mu (Debye): 4.2686
Isotropic polarizability alpha (Bohr^3): 64.38
HOMO energy (Hartree): -0.2125
LUMO energy (Hartree): -0.0313
HOMO-LUMO gap (Hartree): 0.1813
Electronic spatial extent r2 (Bohr^2): 943.0334
Zero-point vibrational energy (Hartree): 0.118383
Internal energy at 0 K (Hartree): -395.942722
Internal energy at 298.15 K (Hartree): -395.935057
Enthalpy at 298.15 K (Hartree): -395.934113
Free energy at 298.15 K (Hartree): -395.974971
Heat capacity at 298.15 K (cal/mol K): 27.208
Atomization energy at 0 K (kcal/mol): -1404.089665549
Atomization energy at 298.15 K (kcal/mol): -1412.61061026
Atomization enthalpy at 298.15 K (kcal/mol): -1420.908161767
Atomization free energy at 298.15 K (kcal/mol): -1303.330545419