Molecule SMILES: Cc1coc(c1N)N
Rotational constants A, B, C (GHz): 3.36707, 1.95425, 1.257
Dipole moment mu (Debye): 0.9712
Isotropic polarizability alpha (Bohr^3): 68.29
HOMO energy (Hartree): -0.1845
LUMO energy (Hartree): 0.0356
HOMO-LUMO gap (Hartree): 0.22
Electronic spatial extent r2 (Bohr^2): 944.9463
Zero-point vibrational energy (Hartree): 0.131404
Internal energy at 0 K (Hartree): -379.946842
Internal energy at 298.15 K (Hartree): -379.938667
Enthalpy at 298.15 K (Hartree): -379.937723
Free energy at 298.15 K (Hartree): -379.978865
Heat capacity at 298.15 K (cal/mol K): 30.508
Atomization energy at 0 K (kcal/mol): -1555.2791739731
Atomization energy at 298.15 K (kcal/mol): -1564.369269347
Atomization enthalpy at 298.15 K (kcal/mol): -1573.259816859
Atomization free energy at 298.15 K (kcal/mol): -1448.000862842