Molecule SMILES: CN(C)c1c[nH]cn1
Rotational constants A, B, C (GHz): 4.62292, 1.62121, 1.23316
Dipole moment mu (Debye): 2.8167
Isotropic polarizability alpha (Bohr^3): 71.87
HOMO energy (Hartree): -0.1742
LUMO energy (Hartree): 0.0403
HOMO-LUMO gap (Hartree): 0.2145
Electronic spatial extent r2 (Bohr^2): 975.0639
Zero-point vibrational energy (Hartree): 0.143699
Internal energy at 0 K (Hartree): -360.069657
Internal energy at 298.15 K (Hartree): -360.061719
Enthalpy at 298.15 K (Hartree): -360.060775
Free energy at 298.15 K (Hartree): -360.101874
Heat capacity at 298.15 K (cal/mol K): 29.194
Atomization energy at 0 K (kcal/mol): -1620.075753313
Atomization energy at 298.15 K (kcal/mol): -1630.203121064
Atomization enthalpy at 298.15 K (kcal/mol): -1639.686664581
Atomization free energy at 298.15 K (kcal/mol): -1506.181614795