Molecule SMILES: CC(C)CC1(C)CN1C
Rotational constants A, B, C (GHz): 2.46832, 0.97243, 0.89955
Dipole moment mu (Debye): 1.1115
Isotropic polarizability alpha (Bohr^3): 93.26
HOMO energy (Hartree): -0.218
LUMO energy (Hartree): 0.0778
HOMO-LUMO gap (Hartree): 0.2957
Electronic spatial extent r2 (Bohr^2): 1531.7221
Zero-point vibrational energy (Hartree): 0.237957
Internal energy at 0 K (Hartree): -369.596241
Internal energy at 298.15 K (Hartree): -369.584962
Enthalpy at 298.15 K (Hartree): -369.584018
Free energy at 298.15 K (Hartree): -369.63231
Heat capacity at 298.15 K (cal/mol K): 42.199
Atomization energy at 0 K (kcal/mol): -2342.8443845671
Atomization energy at 298.15 K (kcal/mol): -2358.8741019721
Atomization enthalpy at 298.15 K (kcal/mol): -2373.693982025
Atomization free energy at 298.15 K (kcal/mol): -2169.3726590621