Molecule SMILES: CN(C)c1cc[nH]c1
Rotational constants A, B, C (GHz): 4.53829, 1.55546, 1.19755
Dipole moment mu (Debye): 1.4141
Isotropic polarizability alpha (Bohr^3): 75.43
HOMO energy (Hartree): -0.1681
LUMO energy (Hartree): 0.0554
HOMO-LUMO gap (Hartree): 0.2235
Electronic spatial extent r2 (Bohr^2): 1012.9599
Zero-point vibrational energy (Hartree): 0.154907
Internal energy at 0 K (Hartree): -344.002867
Internal energy at 298.15 K (Hartree): -343.994683
Enthalpy at 298.15 K (Hartree): -343.993738
Free energy at 298.15 K (Hartree): -344.035572
Heat capacity at 298.15 K (cal/mol K): 30.586
Atomization energy at 0 K (kcal/mol): -1726.768598547
Atomization energy at 298.15 K (kcal/mol): -1737.630779337
Atomization enthalpy at 298.15 K (kcal/mol): -1747.70669135
Atomization free energy at 298.15 K (kcal/mol): -1606.803310454