MolCalcThe Molecule Calculator

azane oxidane

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -548.36 eV View
2 -417.47 eV View
3 -32.78 eV View
4 -30.69 eV View
5 -16.68 eV View
6 -16.68 eV View
7 -15.70 eV View
8 -11.41 eV View
9 -9.51 eV View
10 -8.90 eV View
11 16.83 eV View
12 18.83 eV View
13 19.44 eV View
14 19.45 eV View
15 23.25 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 121.36 cm^-1 View
2 229.73 cm^-1 View
3 259.52 cm^-1 View
4 376.98 cm^-1 View
5 423.41 cm^-1 View
6 574.36 cm^-1 View
7 1440.09 cm^-1 View
8 1736.37 cm^-1 View
9 1755.41 cm^-1 View
10 1756.10 cm^-1 View
11 3456.40 cm^-1 View
12 3457.24 cm^-1 View
13 3655.70 cm^-1 View
14 3716.46 cm^-1 View
15 3969.46 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-13.44	kJ mol^-1
Polar Solvation Energy	-24.55	kJ mol^-1
Nonpolar Solvation Energy	11.12	kJ mol^-1

Surface Area	67.50	Å²
Charge of Molecule	0
Dipole	3.73	Debye