Molecule SMILES: CN1CC(C([O-])=O)C1=[NH2+]
Rotational constants A, B, C (GHz): 2.28958, 1.04439, 0.97597
Dipole moment mu (Debye): 1.2622
Isotropic polarizability alpha (Bohr^3): 70.66
HOMO energy (Hartree): -0.1887
LUMO energy (Hartree): 0.0466
HOMO-LUMO gap (Hartree): 0.2353
Electronic spatial extent r2 (Bohr^2): 1310.3829
Zero-point vibrational energy (Hartree): 0.132659
Internal energy at 0 K (Hartree): -455.168448
Internal energy at 298.15 K (Hartree): -455.157746
Enthalpy at 298.15 K (Hartree): -455.156802
Free energy at 298.15 K (Hartree): -455.207146
Heat capacity at 298.15 K (cal/mol K): 35.212
Atomization energy at 0 K (kcal/mol): -1653.8150297161
Atomization energy at 298.15 K (kcal/mol): -1662.207962591
Atomization enthalpy at 298.15 K (kcal/mol): -1671.6908785991
Atomization free energy at 298.15 K (kcal/mol): -1541.342199083