MolCalcThe Molecule Calculator

oxidane oxidane

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -551.06 eV View
2 -549.89 eV View
3 -34.95 eV View
4 -33.80 eV View
5 -17.50 eV View
6 -16.35 eV View
7 -12.79 eV View
8 -11.41 eV View
9 -11.07 eV View
10 -9.95 eV View
11 15.85 eV View
12 17.59 eV View
13 20.26 eV View
14 21.30 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 95.24 cm^-1 View
2 121.82 cm^-1 View
3 122.48 cm^-1 View
4 131.75 cm^-1 View
5 220.81 cm^-1 View
6 315.01 cm^-1 View
7 1735.46 cm^-1 View
8 1761.79 cm^-1 View
9 3857.95 cm^-1 View
10 3870.07 cm^-1 View
11 3981.91 cm^-1 View
12 3992.64 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-13.51	kJ mol^-1
Polar Solvation Energy	-22.01	kJ mol^-1
Nonpolar Solvation Energy	8.53	kJ mol^-1

Surface Area	67.53	Å²
Charge of Molecule	0
Dipole	3.77	Debye