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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

G3
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3432 -0.5649 0.1220   -1.3302 -0.5961 0.1149
C2 -0.6304 0.6562 -0.2761   -0.6434 0.6379 -0.2888
C3 0.7844 0.5588 0.2721   0.7679 0.5804 0.2739
O4 1.3956 -0.6395 -0.1712   1.4123 -0.6070 -0.1513
H5 -1.6386 -0.4926 1.0944   -1.6368 -0.5213 1.0837
H6 -2.1886 -0.6866 -0.4304   -2.1670 -0.7439 -0.4442
H7 -1.1113 1.5895 0.0533   -1.1499 1.5624 0.0264
H8 -0.5775 0.6700 -1.3681   -0.5801 0.6420 -1.3804
H9 1.3975 1.3927 -0.0805   1.3641 1.4254 -0.0814
H10 0.7542 0.6080 1.3734   0.7257 0.6399 1.3742
H11 0.6775 -1.3007 -0.1025   0.7098 -1.2848 -0.0827
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4688 2.4107 2.7554 1.0188 1.0172 2.1679 2.0812 3.3741 2.7094 2.1621
C2 1.4688 1.5204 2.4071 2.0529 2.0628 1.1004 1.0934 2.1664 2.1541 2.3601
C3 2.4107 1.5204 1.4163 2.7663 3.2990 2.1688 2.1348 1.0935 1.1028 1.8998
O4 2.7554 2.4071 1.4163 3.2908 3.5939 3.3620 2.6533 2.0342 2.0865 0.9786
H5 1.0188 2.0529 2.7663 3.2908 1.6325 2.3868 2.9226 3.7620 2.6485 2.7294
H6 1.0172 2.0628 3.2990 3.5939 1.6325 2.5642 2.3055 4.1601 3.6865 2.9494
H7 2.1679 1.1004 2.1688 3.3620 2.3868 2.5642 1.7751 2.5201 2.4871 3.4025
H8 2.0812 1.0934 2.1348 2.6533 2.9226 2.3055 1.7751 2.4659 3.0485 2.6571
H9 3.3741 2.1664 1.0935 2.0342 3.7620 4.1601 2.5201 2.4659 1.7730 2.7881
H10 2.7094 2.1541 1.1028 2.0865 2.6485 3.6865 2.4871 3.0485 1.7730 2.4140
H11 2.1621 2.3601 1.8998 0.9786 2.7294 2.9494 3.4025 2.6571 2.7881 2.4140
Maximum atom distance is 4.1601Å between atoms H6 and H9.
picture of monoethanolamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 108.922 C2 C3 O4 111.191
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 113.582 N1 C2 H8 107.955
C2 N1 H5 110.957 C2 N1 H6 111.478
C2 C3 H9 110.333 C2 C3 H10 109.522
C3 C2 H7 109.945 C3 C2 H8 108.615
C3 O4 H11 106.984 O4 C3 H9 107.486
O4 C3 H10 110.778 H5 N1 H6 107.152
H7 C2 H8 107.692 H9 C3 H10 107.445

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