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Geometry for CH3CHNH (ethanimine) 1A' CS NH up

1910171554
InChI=1S/C2H5N/c1-2-3/h2-3H,1H3 INChIKey=MPAYEWNVIPXRDP-UHFFFAOYSA-N

BLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0422 -0.6433 0.0000   1.2073 0.2062 0.0000
C2 0.0000 0.4533 0.0000   -0.1697 -0.4203 0.0000
N3 1.2560 0.1919 0.0000   -1.2365 0.2923 0.0000
H4 -0.5542 -1.6288 0.0000   1.1237 1.3028 0.0000
H5 -1.6955 -0.5581 0.8869   1.7812 -0.1173 0.8869
H6 -1.6955 -0.5581 -0.8869   1.7812 -0.1173 -0.8869
H7 -0.4133 1.4850 0.0000   -0.1728 -1.5317 0.0000
H8 1.8199 1.0567 0.0000   -2.0832 -0.2984 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7 H8
C1 1.5128 2.4453 1.0997 1.1048 1.1048 2.2193 3.3290
C2 1.5128 1.2829 2.1545 2.1643 2.1643 1.1114 1.9174
N3 2.4453 1.2829 2.5674 3.1719 3.1719 2.1115 1.0324
H4 1.0997 2.1545 2.5674 1.7988 1.7988 3.1169 3.5844
H5 1.1048 2.1643 3.1719 1.7988 1.7737 2.5700 3.9690
H6 1.1048 2.1643 3.1719 1.7988 1.7737 2.5700 3.9690
H7 2.2193 1.1114 2.1115 3.1169 2.5700 2.5700 2.2739
H8 3.3290 1.9174 1.0324 3.5844 3.9690 3.9690 2.2739
Maximum atom distance is 3.9690Å between atoms H5 and H8.
picture of ethanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 121.792
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.626 C2 C1 H4 110.107
C2 C1 H5 110.580 C2 C1 H6 110.580
C2 N3 H8 111.355 N3 C2 H7 123.582
H4 C1 H5 109.361 H4 C1 H6 109.361
H5 C1 H6 106.785

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