MolCalcThe Molecule Calculator

oxidane oxidane hydrogen

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -565.64 eV View
2 -557.62 eV View
3 -47.17 eV View
4 -41.08 eV View
5 -28.43 eV View
6 -28.33 eV View
7 -23.57 eV View
8 -23.50 eV View
9 -19.24 eV View
10 -17.40 eV View
11 4.77 eV View
12 8.85 eV View
13 8.91 eV View
14 11.61 eV View
15 14.25 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 98.77 cm^-1 View
2 154.53 cm^-1 View
3 220.57 cm^-1 View
4 454.53 cm^-1 View
5 527.71 cm^-1 View
6 745.98 cm^-1 View
7 1396.33 cm^-1 View
8 1681.31 cm^-1 View
9 1711.51 cm^-1 View
10 1757.51 cm^-1 View
11 3285.19 cm^-1 View
12 3661.91 cm^-1 View
13 3811.70 cm^-1 View
14 3871.09 cm^-1 View
15 3955.00 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-268.16	kJ mol^-1
Polar Solvation Energy	-277.59	kJ mol^-1
Nonpolar Solvation Energy	9.45	kJ mol^-1

Surface Area	60.55	Å²
Charge of Molecule	1
Dipole	2.21	Debye