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Experimental data for CH3NNCH3 ((E)-1,2-Dimethyldiazene)

22 02 02 11 45
Other names
Azomethane; 1,2-Dimethyldiazene; (E)-Dimethyldiazene;
INChI INChIKey SMILES IUPAC name
InChI=1S/C2H6N2/c1-3-4-2/h1-2H3/b4-3+ JCCAVOLDXDEODY-ONEGZZNKSA-N C/N=N/C (E)-1,2-Dimethyldiazene
State Conformation
1AG C2H
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference

Calculated vibrational frequencies for CH3NNCH3 ((E)-1,2-Dimethyldiazene).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for CH3NNCH3 ((E)-1,2-Dimethyldiazene).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of (E)-1,2-Dimethyldiazene

Point Group C2h


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for CH3NNCH3 ((E)-1,2-Dimethyldiazene).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 6
H-N 1
C-N 2

Connectivity
Atom 1 Atom 2
N1 N2
N1 C3
N2 C4
C3 H5
C3 H7
C3 H8
C4 H6
C4 H9
C4 H10
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1AG
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1AG C2h True           C2h 0 3
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for CH3NNCH3 ((E)-1,2-Dimethyldiazene).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1AG C2h True       C2h 0 3

Calculated electric quadrupole moments for CH3NNCH3 ((E)-1,2-Dimethyldiazene).

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