Molecule SMILES: C(C(=O)N)(C(=O)N)N
Rotational constants A, B, C (GHz): 2.92049, 1.76789, 1.30164
Dipole moment mu (Debye): 5.2841
Isotropic polarizability alpha (Bohr^3): 58.31
HOMO energy (Hartree): -0.2369
LUMO energy (Hartree): -0.0036
HOMO-LUMO gap (Hartree): 0.2334
Electronic spatial extent r2 (Bohr^2): 933.9895
Zero-point vibrational energy (Hartree): 0.119692
Internal energy at 0 K (Hartree): -433.17706
Internal energy at 298.15 K (Hartree): -433.168564
Enthalpy at 298.15 K (Hartree): -433.16762
Free energy at 298.15 K (Hartree): -433.210046
Heat capacity at 298.15 K (cal/mol K): 31.244
Atomization energy at 0 K (kcal/mol): -1414.463016828
Atomization energy at 298.15 K (kcal/mol): -1422.461874051
Atomization enthalpy at 298.15 K (kcal/mol): -1430.759425558
Atomization free energy at 298.15 K (kcal/mol): -1313.910347159