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Geometry for CH2NH (Methanimine) 1A' CS

1910171554
InChI=1S/CH3N/c1-2/h2H,1H2 INChIKey=WDWDWGRYHDPSDS-UHFFFAOYSA-N

B2PLYP=FULLultrafine/daug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0567 0.5896 0.0000   0.5922 0.0103 0.0000
N2 0.0567 -0.6887 0.0000   -0.6821 0.1105 0.0000
H3 -0.8492 1.2127 0.0000   1.1424 -0.9417 0.0000
H4 1.0177 1.1143 0.0000   1.1907 0.9272 0.0000
H5 -0.9050 -1.0441 0.0000   -1.1118 -0.8203 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.2783 1.0995 1.0949 1.8957
N2 1.2783 2.1061 2.0431 1.0252
H3 1.0995 2.1061 1.8694 2.2575
H4 1.0949 2.0431 1.8694 2.8905
H5 1.8957 1.0252 2.2575 2.8905
Maximum atom distance is 2.8905Å between atoms H4 and H5.
picture of Methanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 110.285 N2 C1 H3 124.522
N2 C1 H4 118.634 H3 C1 H4 116.843

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.