Molecule SMILES: CN(C)c1ncon1
Rotational constants A, B, C (GHz): 4.75371, 1.66902, 1.26057
Dipole moment mu (Debye): 1.787
Isotropic polarizability alpha (Bohr^3): 63.93
HOMO energy (Hartree): -0.2192
LUMO energy (Hartree): -0.0092
HOMO-LUMO gap (Hartree): 0.21
Electronic spatial extent r2 (Bohr^2): 929.918
Zero-point vibrational energy (Hartree): 0.119567
Internal energy at 0 K (Hartree): -395.975536
Internal energy at 298.15 K (Hartree): -395.967858
Enthalpy at 298.15 K (Hartree): -395.966914
Free energy at 298.15 K (Hartree): -396.007824
Heat capacity at 298.15 K (cal/mol K): 26.716
Atomization energy at 0 K (kcal/mol): -1424.680745875
Atomization energy at 298.15 K (kcal/mol): -1433.193532969
Atomization enthalpy at 298.15 K (kcal/mol): -1441.491084476
Atomization free energy at 298.15 K (kcal/mol): -1323.946098596