Molecule SMILES: CN(C)C(=N)C(=O)OC
Rotational constants A, B, C (GHz): 3.21028, 1.06145, 0.87488
Dipole moment mu (Debye): 2.4603
Isotropic polarizability alpha (Bohr^3): 76.1
HOMO energy (Hartree): -0.2264
LUMO energy (Hartree): -0.0216
HOMO-LUMO gap (Hartree): 0.2048
Electronic spatial extent r2 (Bohr^2): 1381.0946
Zero-point vibrational energy (Hartree): 0.157176
Internal energy at 0 K (Hartree): -456.362529
Internal energy at 298.15 K (Hartree): -456.351915
Enthalpy at 298.15 K (Hartree): -456.35097
Free energy at 298.15 K (Hartree): -456.399027
Heat capacity at 298.15 K (cal/mol K): 36.071
Atomization energy at 0 K (kcal/mol): -1775.259984031
Atomization energy at 298.15 K (kcal/mol): -1785.485243186
Atomization enthalpy at 298.15 K (kcal/mol): -1796.153523695
Atomization free energy at 298.15 K (kcal/mol): -1648.035671826