MolCalcThe Molecule Calculator

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -414.21 eV View
2 -404.71 eV View
3 -404.71 eV View
4 -28.59 eV View
5 -22.07 eV View
6 -7.73 eV View
7 -7.73 eV View
8 -6.52 eV View
9 -3.85 eV View
10 3.15 eV View
11 3.15 eV View
12 18.73 eV View
13 18.73 eV View
14 29.53 eV View
15 45.99 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 539.22 cm^-1 View
2 539.25 cm^-1 View
3 1616.94 cm^-1 View
4 2486.03 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-300.02	kJ mol^-1
Polar Solvation Energy	-305.65	kJ mol^-1
Nonpolar Solvation Energy	5.64	kJ mol^-1

Surface Area	70.93	Å²
Charge of Molecule	-1
Dipole	0.00	Debye