Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 235.71 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 245.63 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 127.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 160.54 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.65 | J mol-1 K-1 |
| Rotational | 130.35 | J mol-1 K-1 |
| Vibrational | 117.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 421.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -82.86 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.20 eV View
- 2 -2473.29 eV View
- 3 -1086.65 eV View
- 4 -551.58 eV View
- 5 -300.88 eV View
- 6 -300.66 eV View
- 7 -300.62 eV View
- 8 -299.79 eV View
- 9 -299.58 eV View
- 10 -297.13 eV View
- 11 -281.35 eV View
- 12 -238.64 eV View
- 13 -211.75 eV View
- 14 -211.63 eV View
- 15 -211.61 eV View
- 16 -174.34 eV View
- 17 -174.26 eV View
- 18 -174.17 eV View
- 19 -72.68 eV View
- 20 -35.81 eV View
- 21 -35.78 eV View
- 22 -35.73 eV View
- 23 -35.56 eV View
- 24 -30.00 eV View
- 25 -28.39 eV View
- 26 -25.95 eV View
- 27 -24.84 eV View
- 28 -23.35 eV View
- 29 -20.13 eV View
- 30 -19.41 eV View
- 31 -16.80 eV View
- 32 -16.24 eV View
- 33 -15.12 eV View
- 34 -14.04 eV View
- 35 -13.59 eV View
- 36 -13.32 eV View
- 37 -12.09 eV View
- 38 -12.03 eV View
- 39 -11.61 eV View
- 40 -11.06 eV View
- 41 -10.50 eV View
- 42 -10.33 eV View
- 43 -8.67 eV View
- 44 -6.73 eV View
- 45 -6.53 eV View
- 46 -5.58 eV View
- 47 4.36 eV View
- 48 7.44 eV View
- 49 7.75 eV View
- 50 9.55 eV View
- 51 10.36 eV View
- 52 11.00 eV View
- 53 11.92 eV View
- 54 13.71 eV View
- 55 14.74 eV View
- 56 15.65 eV View
- 57 16.89 eV View
- 58 18.31 eV View
- 59 19.03 eV View
- 60 19.89 eV View
- 61 22.73 eV View
- 62 24.20 eV View
- 63 24.86 eV View
- 64 25.38 eV View
- 65 30.61 eV View
- 66 30.99 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 68.58 cm-1 View
- 2 143.74 cm-1 View
- 3 154.92 cm-1 View
- 4 163.47 cm-1 View
- 5 190.96 cm-1 View
- 6 206.45 cm-1 View
- 7 210.00 cm-1 View
- 8 272.34 cm-1 View
- 9 283.61 cm-1 View
- 10 313.34 cm-1 View
- 11 386.83 cm-1 View
- 12 449.29 cm-1 View
- 13 508.14 cm-1 View
- 14 529.97 cm-1 View
- 15 573.41 cm-1 View
- 16 574.61 cm-1 View
- 17 671.84 cm-1 View
- 18 768.51 cm-1 View
- 19 892.70 cm-1 View
- 20 924.12 cm-1 View
- 21 958.49 cm-1 View
- 22 985.34 cm-1 View
- 23 1100.19 cm-1 View
- 24 1127.05 cm-1 View
- 25 1181.47 cm-1 View
- 26 1284.44 cm-1 View
- 27 1397.25 cm-1 View
- 28 1413.20 cm-1 View
- 29 1520.06 cm-1 View
- 30 1598.82 cm-1 View
- 31 1694.69 cm-1 View
- 32 1744.31 cm-1 View
- 33 1789.11 cm-1 View
- 34 3050.87 cm-1 View
- 35 3062.01 cm-1 View
- 36 3904.67 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |