Molecule SMILES: CC(C)C1(C)CN1C
Rotational constants A, B, C (GHz): 2.59939, 1.62878, 1.42248
Dipole moment mu (Debye): 1.1492
Isotropic polarizability alpha (Bohr^3): 82.03
HOMO energy (Hartree): -0.2176
LUMO energy (Hartree): 0.0797
HOMO-LUMO gap (Hartree): 0.2973
Electronic spatial extent r2 (Bohr^2): 1072.2236
Zero-point vibrational energy (Hartree): 0.20974
Internal energy at 0 K (Hartree): -330.307037
Internal energy at 298.15 K (Hartree): -330.297102
Enthalpy at 298.15 K (Hartree): -330.296158
Free energy at 298.15 K (Hartree): -330.340889
Heat capacity at 298.15 K (cal/mol K): 37.337
Atomization energy at 0 K (kcal/mol): -2065.556942593
Atomization energy at 298.15 K (kcal/mol): -2079.7637463531
Atomization enthalpy at 298.15 K (kcal/mol): -2092.8052659
Atomization free energy at 298.15 K (kcal/mol): -1913.1921098121