Molecule SMILES: CN(C)c1coc(n1)O
Rotational constants A, B, C (GHz): 4.03895, 1.09251, 0.87645
Dipole moment mu (Debye): 2.0589
Isotropic polarizability alpha (Bohr^3): 72.18
HOMO energy (Hartree): -0.1855
LUMO energy (Hartree): 0.0366
HOMO-LUMO gap (Hartree): 0.2221
Electronic spatial extent r2 (Bohr^2): 1290.7446
Zero-point vibrational energy (Hartree): 0.135621
Internal energy at 0 K (Hartree): -455.166652
Internal energy at 298.15 K (Hartree): -455.157756
Enthalpy at 298.15 K (Hartree): -455.156812
Free energy at 298.15 K (Hartree): -455.200214
Heat capacity at 298.15 K (cal/mol K): 32.462
Atomization energy at 0 K (kcal/mol): -1652.6880235521
Atomization energy at 298.15 K (kcal/mol): -1662.214237681
Atomization enthalpy at 298.15 K (kcal/mol): -1671.697153689
Atomization free energy at 298.15 K (kcal/mol): -1536.992306695