Molecule SMILES: CN(C)c1n[nH]nn1
Rotational constants A, B, C (GHz): 4.80081, 1.68111, 1.2701
Dipole moment mu (Debye): 2.1974
Isotropic polarizability alpha (Bohr^3): 64.06
HOMO energy (Hartree): -0.2131
LUMO energy (Hartree): -0.0151
HOMO-LUMO gap (Hartree): 0.198
Electronic spatial extent r2 (Bohr^2): 922.9143
Zero-point vibrational energy (Hartree): 0.120299
Internal energy at 0 K (Hartree): -392.139519
Internal energy at 298.15 K (Hartree): -392.131751
Enthalpy at 298.15 K (Hartree): -392.130806
Free energy at 298.15 K (Hartree): -392.171973
Heat capacity at 298.15 K (cal/mol K): 26.856
Atomization energy at 0 K (kcal/mol): -1366.706444383
Atomization energy at 298.15 K (kcal/mol): -1375.162128158
Atomization enthalpy at 298.15 K (kcal/mol): -1383.459052156
Atomization free energy at 298.15 K (kcal/mol): -1265.715773432