Molecule SMILES: CN(C)c1ccc[nH]1
Rotational constants A, B, C (GHz): 4.53951, 1.53477, 1.26042
Dipole moment mu (Debye): 1.7418
Isotropic polarizability alpha (Bohr^3): 75.53
HOMO energy (Hartree): -0.1757
LUMO energy (Hartree): 0.0543
HOMO-LUMO gap (Hartree): 0.23
Electronic spatial extent r2 (Bohr^2): 999.6836
Zero-point vibrational energy (Hartree): 0.154991
Internal energy at 0 K (Hartree): -344.005118
Internal energy at 298.15 K (Hartree): -343.997022
Enthalpy at 298.15 K (Hartree): -343.996078
Free energy at 298.15 K (Hartree): -344.03772
Heat capacity at 298.15 K (cal/mol K): 30.278
Atomization energy at 0 K (kcal/mol): -1728.181121306
Atomization energy at 298.15 K (kcal/mol): -1739.0985228881
Atomization enthalpy at 298.15 K (kcal/mol): -1749.17506241
Atomization free energy at 298.15 K (kcal/mol): -1608.151199786