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Geometry for HCCNH2 (Ethynamine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3/h1H,3H2 INChIKey=

B2PLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0002 1.3745 0.0000   -0.0000 -0.0002 1.3745
C2 0.0000 0.1606 0.0000   0.0000 0.0000 0.1606
N3 -0.0004 -1.1779 0.0000   -0.0000 -0.0004 -1.1779
H4 0.0013 2.4330 0.0000   0.0000 0.0013 2.4330
H5 0.0014 -1.6992 0.8653   0.8653 -0.0056 -1.6992
H6 0.0014 -1.6992 -0.8653   -0.8653 0.0084 -1.6992
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2140 2.5524 1.0585 3.1932 3.1932
C2 1.2140 1.3384 2.2725 2.0512 2.0512
N3 2.5524 1.3384 3.6109 1.0102 1.0102
H4 1.0585 2.2725 3.6109 4.2218 4.2218
H5 3.1932 2.0512 1.0102 4.2218 1.7306
H6 3.1932 2.0512 1.0102 4.2218 1.7306
Maximum atom distance is 4.2218Å between atoms H4 and H5.
picture of Ethynamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 179.973
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.906 C2 N3 H5 121.066
C2 N3 H6 121.066 H5 N3 H6 117.867

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