Molecule SMILES: CCN(C)c1cc[nH]n1
Rotational constants A, B, C (GHz): 3.07995, 1.21485, 0.97004
Dipole moment mu (Debye): 1.3342
Isotropic polarizability alpha (Bohr^3): 82.45
HOMO energy (Hartree): -0.1801
LUMO energy (Hartree): 0.0365
HOMO-LUMO gap (Hartree): 0.2166
Electronic spatial extent r2 (Bohr^2): 1270.1682
Zero-point vibrational energy (Hartree): 0.172114
Internal energy at 0 K (Hartree): -399.343368
Internal energy at 298.15 K (Hartree): -399.334046
Enthalpy at 298.15 K (Hartree): -399.333102
Free energy at 298.15 K (Hartree): -399.377882
Heat capacity at 298.15 K (cal/mol K): 34.199
Atomization energy at 0 K (kcal/mol): -1887.64119835
Atomization energy at 298.15 K (kcal/mol): -1899.566379386
Atomization enthalpy at 298.15 K (kcal/mol): -1910.828283409
Atomization free energy at 298.15 K (kcal/mol): -1752.690367828