MolCalcThe Molecule Calculator

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -538.16 eV View
2 -538.16 eV View
3 -410.30 eV View
4 -29.63 eV View
5 -23.51 eV View
6 -10.91 eV View
7 -6.04 eV View
8 -5.19 eV View
9 -4.97 eV View
10 1.10 eV View
11 2.38 eV View
12 2.85 eV View
13 17.77 eV View
14 32.93 eV View
15 34.20 eV View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-300.69	kJ mol^-1
Polar Solvation Energy	-306.89	kJ mol^-1
Nonpolar Solvation Energy	6.19	kJ mol^-1

Surface Area	60.76	Å²
Charge of Molecule	-1
Dipole	0.93	Debye