Molecule SMILES: CN(C)c1cocn1
Rotational constants A, B, C (GHz): 4.69299, 1.61627, 1.23482
Dipole moment mu (Debye): 1.4041
Isotropic polarizability alpha (Bohr^3): 67.48
HOMO energy (Hartree): -0.1927
LUMO energy (Hartree): 0.0126
HOMO-LUMO gap (Hartree): 0.2053
Electronic spatial extent r2 (Bohr^2): 958.8418
Zero-point vibrational energy (Hartree): 0.131321
Internal energy at 0 K (Hartree): -379.939265
Internal energy at 298.15 K (Hartree): -379.931572
Enthalpy at 298.15 K (Hartree): -379.930627
Free energy at 298.15 K (Hartree): -379.971373
Heat capacity at 298.15 K (cal/mol K): 27.753
Atomization energy at 0 K (kcal/mol): -1550.52453828
Atomization energy at 298.15 K (kcal/mol): -1559.9170929921
Atomization enthalpy at 298.15 K (kcal/mol): -1568.807012995
Atomization free energy at 298.15 K (kcal/mol): -1443.299565414