Molecule SMILES: CN(C)c1cnnnn1
Rotational constants A, B, C (GHz): 3.76916, 1.28608, 0.97086
Dipole moment mu (Debye): 7.1549
Isotropic polarizability alpha (Bohr^3): 77.02
HOMO energy (Hartree): -0.2382
LUMO energy (Hartree): -0.0683
HOMO-LUMO gap (Hartree): 0.1699
Electronic spatial extent r2 (Bohr^2): 1167.7587
Zero-point vibrational energy (Hartree): 0.123502
Internal energy at 0 K (Hartree): -430.19307
Internal energy at 298.15 K (Hartree): -430.184299
Enthalpy at 298.15 K (Hartree): -430.183355
Free energy at 298.15 K (Hartree): -430.227751
Heat capacity at 298.15 K (cal/mol K): 30.068
Atomization energy at 0 K (kcal/mol): -1496.462127894
Atomization energy at 298.15 K (kcal/mol): -1505.177600395
Atomization enthalpy at 298.15 K (kcal/mol): -1514.067520398
Atomization free energy at 298.15 K (kcal/mol): -1387.741801081