MolCalcThe Molecule Calculator

diazene azane diazene

Molecule
Thermodynamics
Molecular Orbitals
Vibrational Frequencies
Polarity and Solvation

Molecule Viewer

Thermodynamics at 298.15 K and standard pressure

Enthalpy
Property	Value	Unit
Translational	6.20	kJ mol^-1
Rotational	3.72	kJ mol^-1
Vibrational	177.07	kJ mol^-1
Total (Trans. + Rot. + Vib.)	186.98	kJ mol^-1

Heat Capacity at Constant Pressure
Property	Value	Unit
Translational	20.79	J mol^-1 K^-1
Rotational	12.47	J mol^-1 K^-1
Vibrational	57.43	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	90.68	J mol^-1 K^-1

Entropy
Property	Value	Unit
Translational	162.60	J mol^-1 K^-1
Rotational	151.19	J mol^-1 K^-1
Vibrational	110.61	J mol^-1 K^-1
Total (Trans. + Rot. + Vib.)	424.40	J mol^-1 K^-1

Other Properties
Property	Value	Unit
Heat of Formation	9657.92	kJ mol^-1

Molecular Orbitals

1 -466.02 eV View
2 -453.22 eV View
3 -453.20 eV View
4 -453.16 eV View
5 -453.16 eV View
6 -64.74 eV View
7 -64.74 eV View
8 -62.18 eV View
9 -50.42 eV View
10 -50.40 eV View
11 -47.85 eV View
12 -47.34 eV View
13 -47.33 eV View
14 -41.35 eV View
15 -41.35 eV View
16 -41.35 eV View
17 -41.35 eV View
18 -30.65 eV View
19 -30.65 eV View
20 -19.35 eV View
21 -19.35 eV View
22 -19.34 eV View
23 -19.34 eV View
24 -12.40 eV View
25 -12.29 eV View
26 -12.26 eV View
27 -7.27 eV View
28 -7.24 eV View
29 7.90 eV View
30 7.93 eV View

Vibrational Frequencies

Vibration
Vectors
Balls

1 21.33 cm^-1 View
2 0.26 cm^-1 View
3 0.24 cm^-1 View
4 0.18 cm^-1 View
5 7.48 cm^-1 View
6 20.64 cm^-1 View
7 31.46 cm^-1 View
8 190.54 cm^-1 View
9 195.26 cm^-1 View
10 880.97 cm^-1 View
11 881.76 cm^-1 View
12 881.80 cm^-1 View
13 883.16 cm^-1 View
14 906.51 cm^-1 View
15 906.85 cm^-1 View
16 906.87 cm^-1 View
17 908.25 cm^-1 View
18 2333.92 cm^-1 View
19 2334.86 cm^-1 View
20 2890.44 cm^-1 View
21 2891.42 cm^-1 View
22 3136.23 cm^-1 View
23 3136.44 cm^-1 View
24 3397.73 cm^-1 View

Aqueous Solvation Energy at 298.15 K

Surface
Dipole
Translucent Molecule

Property	Value	Unit
Total Solvation Energy	-4716.66	kJ mol^-1
Polar Solvation Energy	-4794.35	kJ mol^-1
Nonpolar Solvation Energy	77.71	kJ mol^-1

Surface Area	146.95	Å²
Charge of Molecule	6
Dipole	57.93	Debye