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Geometry for HCCNH2 (Ethynamine) 1A' CS

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

B2PLYP=FULLultrafine/cc-pVDZ


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 -0.0417 1.3768 0.0000
C2 0.0000 0.1579 0.0000
N3 0.1285 -1.2004 0.0000
H4 -0.0880 2.4456 0.0000
H5 -0.2808 -1.6256 0.8300
H6 -0.2808 -1.6256 -0.8300
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6
C1 1.2196 2.5828 1.0698 3.1242 3.1242
C2 1.2196 1.3644 2.2894 1.9872 1.9872
N3 2.5828 1.3644 3.6524 1.0185 1.0185
H4 1.0698 2.2894 3.6524 4.1595 4.1595
H5 3.1242 1.9872 1.0185 4.1595 1.6599
H6 3.1242 1.9872 1.0185 4.1595 1.6599
Maximum atom distance is 4.1595Å 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 176.553
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 179.477 C2 N3 H5 112.198
C2 N3 H6 112.198 H5 N3 H6 109.158

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