Molecule SMILES: CN(C)Cc1cn[nH]n1
Rotational constants A, B, C (GHz): 4.31644, 0.92328, 0.86348
Dipole moment mu (Debye): 0.5713
Isotropic polarizability alpha (Bohr^3): 78.11
HOMO energy (Hartree): -0.2134
LUMO energy (Hartree): -0.0053
HOMO-LUMO gap (Hartree): 0.2081
Electronic spatial extent r2 (Bohr^2): 1393.9015
Zero-point vibrational energy (Hartree): 0.160885
Internal energy at 0 K (Hartree): -415.375073
Internal energy at 298.15 K (Hartree): -415.366215
Enthalpy at 298.15 K (Hartree): -415.365271
Free energy at 298.15 K (Hartree): -415.409817
Heat capacity at 298.15 K (cal/mol K): 31.9
Atomization energy at 0 K (kcal/mol): -1758.932199851
Atomization energy at 298.15 K (kcal/mol): -1770.25936481
Atomization enthalpy at 298.15 K (kcal/mol): -1780.928272828
Atomization free energy at 298.15 K (kcal/mol): -1630.503070366