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 | 382.44 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 392.36 | 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 | 107.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 140.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.78 | J mol-1 K-1 |
| Rotational | 124.28 | J mol-1 K-1 |
| Vibrational | 103.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 401.90 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -143.09 | kJ mol-1 |
Molecular Orbitals
- 1 -13190.83 eV View
- 2 -2818.84 eV View
- 3 -1733.01 eV View
- 4 -1573.32 eV View
- 5 -1573.25 eV View
- 6 -1573.25 eV View
- 7 -302.66 eV View
- 8 -302.26 eV View
- 9 -301.29 eV View
- 10 -300.98 eV View
- 11 -300.87 eV View
- 12 -280.17 eV View
- 13 -249.88 eV View
- 14 -210.58 eV View
- 15 -210.43 eV View
- 16 -210.43 eV View
- 17 -187.16 eV View
- 18 -186.81 eV View
- 19 -186.81 eV View
- 20 -61.58 eV View
- 21 -61.45 eV View
- 22 -61.45 eV View
- 23 -61.10 eV View
- 24 -61.10 eV View
- 25 -30.72 eV View
- 26 -27.72 eV View
- 27 -27.06 eV View
- 28 -24.19 eV View
- 29 -23.52 eV View
- 30 -21.72 eV View
- 31 -19.60 eV View
- 32 -17.62 eV View
- 33 -16.32 eV View
- 34 -15.81 eV View
- 35 -15.04 eV View
- 36 -14.89 eV View
- 37 -13.87 eV View
- 38 -13.64 eV View
- 39 -13.27 eV View
- 40 -12.53 eV View
- 41 -11.70 eV View
- 42 -10.54 eV View
- 43 -9.95 eV View
- 44 -9.73 eV View
- 45 -8.19 eV View
- 46 -7.62 eV View
- 47 8.70 eV View
- 48 10.71 eV View
- 49 15.40 eV View
- 50 15.94 eV View
- 51 16.55 eV View
- 52 17.20 eV View
- 53 17.91 eV View
- 54 18.52 eV View
- 55 18.94 eV View
- 56 19.39 eV View
- 57 19.92 eV View
- 58 19.96 eV View
- 59 20.61 eV View
- 60 20.87 eV View
- 61 21.13 eV View
- 62 21.43 eV View
- 63 2909.03 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 53.87 cm-1 View
- 2 86.01 cm-1 View
- 3 170.93 cm-1 View
- 4 183.32 cm-1 View
- 5 194.21 cm-1 View
- 6 204.99 cm-1 View
- 7 265.42 cm-1 View
- 8 319.10 cm-1 View
- 9 361.19 cm-1 View
- 10 390.00 cm-1 View
- 11 540.34 cm-1 View
- 12 670.07 cm-1 View
- 13 737.80 cm-1 View
- 14 829.53 cm-1 View
- 15 928.34 cm-1 View
- 16 978.07 cm-1 View
- 17 1004.64 cm-1 View
- 18 1041.67 cm-1 View
- 19 1056.33 cm-1 View
- 20 1118.11 cm-1 View
- 21 1124.44 cm-1 View
- 22 1127.01 cm-1 View
- 23 1152.97 cm-1 View
- 24 1156.46 cm-1 View
- 25 1181.13 cm-1 View
- 26 1254.63 cm-1 View
- 27 1320.90 cm-1 View
- 28 1364.51 cm-1 View
- 29 1383.55 cm-1 View
- 30 1391.86 cm-1 View
- 31 1398.22 cm-1 View
- 32 1406.94 cm-1 View
- 33 1409.34 cm-1 View
- 34 1422.32 cm-1 View
- 35 1425.70 cm-1 View
- 36 2907.82 cm-1 View
- 37 2951.81 cm-1 View
- 38 2962.95 cm-1 View
- 39 3031.20 cm-1 View
- 40 3070.40 cm-1 View
- 41 3076.03 cm-1 View
- 42 3078.72 cm-1 View
- 43 3084.72 cm-1 View
- 44 3166.78 cm-1 View
- 45 3179.62 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 |