MolCalcThe Molecule Calculator

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -300.95 eV View
2 -300.89 eV View
3 -27.07 eV View
4 -11.42 eV View
5 -10.68 eV View
6 -10.68 eV View
7 0.72 eV View
8 10.02 eV View
9 10.02 eV View
10 33.85 eV View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	10.04	kJ mol^-1
Polar Solvation Energy	-0.33	kJ mol^-1
Nonpolar Solvation Energy	10.32	kJ mol^-1

Surface Area	62.75	Å²
Charge of Molecule	0
Dipole	0.00	Debye