MolCalcThe Molecule Calculator

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -2475.27 eV View
2 -301.65 eV View
3 -240.79 eV View
4 -176.51 eV View
5 -176.33 eV View
6 -176.33 eV View
7 -29.79 eV View
8 -16.67 eV View
9 -11.93 eV View
10 -11.93 eV View
11 -10.63 eV View
12 5.89 eV View
13 5.89 eV View
14 18.51 eV View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	0.88	kJ mol^-1
Polar Solvation Energy	-9.43	kJ mol^-1
Nonpolar Solvation Energy	10.28	kJ mol^-1

Surface Area	70.83	Å²
Charge of Molecule	0
Dipole	1.89	Debye