Molecule SMILES: CCN(C)c1n[nH]nn1
Rotational constants A, B, C (GHz): 3.18459, 1.2476, 0.98367
Dipole moment mu (Debye): 2.1465
Isotropic polarizability alpha (Bohr^3): 74.79
HOMO energy (Hartree): -0.21
LUMO energy (Hartree): -0.014
HOMO-LUMO gap (Hartree): 0.196
Electronic spatial extent r2 (Bohr^2): 1219.1108
Zero-point vibrational energy (Hartree): 0.148885
Internal energy at 0 K (Hartree): -431.42997
Internal energy at 298.15 K (Hartree): -431.420995
Enthalpy at 298.15 K (Hartree): -431.42005
Free energy at 298.15 K (Hartree): -431.464348
Heat capacity at 298.15 K (cal/mol K): 31.729
Atomization energy at 0 K (kcal/mol): -1644.77639008
Atomization energy at 298.15 K (kcal/mol): -1655.140956233
Atomization enthalpy at 298.15 K (kcal/mol): -1665.216240737
Atomization free energy at 298.15 K (kcal/mol): -1522.494966268