Molecule SMILES: CN(C)c1cc[nH]n1
Rotational constants A, B, C (GHz): 4.60546, 1.62781, 1.22991
Dipole moment mu (Debye): 1.3883
Isotropic polarizability alpha (Bohr^3): 71.68
HOMO energy (Hartree): -0.1834
LUMO energy (Hartree): 0.0355
HOMO-LUMO gap (Hartree): 0.2189
Electronic spatial extent r2 (Bohr^2): 975.9484
Zero-point vibrational energy (Hartree): 0.143754
Internal energy at 0 K (Hartree): -360.053276
Internal energy at 298.15 K (Hartree): -360.045254
Enthalpy at 298.15 K (Hartree): -360.044309
Free energy at 298.15 K (Hartree): -360.085775
Heat capacity at 298.15 K (cal/mol K): 29.174
Atomization energy at 0 K (kcal/mol): -1609.796528384
Atomization energy at 298.15 K (kcal/mol): -1619.871185379
Atomization enthalpy at 298.15 K (kcal/mol): -1629.354101387
Atomization free energy at 298.15 K (kcal/mol): -1496.079347404