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Geometry for HOCH2CH2NH2 (monoethanolamine) 1A' CS

1910171554
InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2 INChIKey=HZAXFHJVJLSVMW-UHFFFAOYSA-N

B97D3/daug-cc-pVTZ


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
N1 -1.2670 1.4189 0.0000
C2 0.0462 0.7682 0.0000
C3 0.0000 -0.7601 0.0000
O4 1.3464 -1.2545 0.0000
H5 -1.8055 1.1387 0.8156
H6 -1.8055 1.1387 -0.8156
H7 0.6045 1.1078 -0.8794
H8 0.6045 1.1078 0.8794
H9 -0.5474 -1.1101 -0.8909
H10 -0.5474 -1.1101 0.8909
H11 1.3179 -2.2184 0.0000
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4656 2.5206 3.7386 1.0167 1.0167 2.0911 2.0911 2.7763 2.7763 4.4622
C2 1.4656 1.5290 2.4045 2.0570 2.0570 1.0956 1.0956 2.1620 2.1620 3.2460
C3 2.5206 1.5290 1.4343 2.7441 2.7441 2.1512 2.1512 1.1027 1.1027 1.9655
O4 3.7386 2.4045 1.4343 4.0406 4.0406 2.6275 2.6275 2.0978 2.0978 0.9643
H5 1.0167 2.0570 2.7441 4.0406 1.6311 2.9466 2.4111 3.0906 2.5779 4.6573
H6 1.0167 2.0570 2.7441 4.0406 1.6311 2.4111 2.9466 2.5779 3.0906 4.6573
H7 2.0911 1.0956 2.1512 2.6275 2.9466 2.4111 1.7589 2.4992 3.0627 3.5136
H8 2.0911 1.0956 2.1512 2.6275 2.4111 2.9466 1.7589 3.0627 2.4992 3.5136
H9 2.7763 2.1620 1.1027 2.0978 3.0906 2.5779 2.4992 3.0627 1.7819 2.3454
H10 2.7763 2.1620 1.1027 2.0978 2.5779 3.0906 3.0627 2.4992 1.7819 2.3454
H11 4.4622 3.2460 1.9655 0.9643 4.6573 4.6573 3.5136 3.5136 2.3454 2.3454
Maximum atom distance is 4.6573Å between atoms H5 and H11.
picture of monoethanolamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 114.627 C2 C3 O4 108.431
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 108.600 N1 C2 H8 108.600
C2 N1 H5 110.621 C2 N1 H6 110.621
C2 C3 H9 109.411 C2 C3 H10 109.411
C3 C2 H7 108.977 C3 C2 H8 108.977
C3 O4 H11 108.470 O4 C3 H9 110.889
O4 C3 H10 110.889 H5 N1 H6 106.674
H7 C2 H8 106.775 H9 C3 H10 107.791

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