MolCalcThe Molecule Calculator

Azane

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Molecular Orbitals

1 -416.32 eV View
2 -29.75 eV View
3 -15.78 eV View
4 -15.77 eV View
5 -9.52 eV View
6 17.71 eV View
7 20.40 eV View
8 20.40 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 1399.43 cm^-1 View
2 1758.54 cm^-1 View
3 1758.73 cm^-1 View
4 3460.07 cm^-1 View
5 3460.20 cm^-1 View
6 3661.24 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-4.85	kJ mol^-1
Polar Solvation Energy	-10.34	kJ mol^-1
Nonpolar Solvation Energy	5.48	kJ mol^-1

Surface Area	43.19	Å²
Charge of Molecule	0
Dipole	1.63	Debye