Molecule SMILES: CN(C)c1c[nH]nn1
Rotational constants A, B, C (GHz): 4.71304, 1.62527, 1.23693
Dipole moment mu (Debye): 3.965
Isotropic polarizability alpha (Bohr^3): 68.08
HOMO energy (Hartree): -0.1945
LUMO energy (Hartree): 0.0068
HOMO-LUMO gap (Hartree): 0.2013
Electronic spatial extent r2 (Bohr^2): 955.738
Zero-point vibrational energy (Hartree): 0.131723
Internal energy at 0 K (Hartree): -376.088443
Internal energy at 298.15 K (Hartree): -376.080629
Enthalpy at 298.15 K (Hartree): -376.079685
Free energy at 298.15 K (Hartree): -376.120788
Heat capacity at 298.15 K (cal/mol K): 28.035
Atomization energy at 0 K (kcal/mol): -1483.259966043
Atomization energy at 298.15 K (kcal/mol): -1492.575964657
Atomization enthalpy at 298.15 K (kcal/mol): -1501.466512169
Atomization free energy at 298.15 K (kcal/mol): -1375.823522644