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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

HF/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.4028 -0.5393 0.1329   1.4135 -0.5047 0.1537
C2 -0.6396 0.6518 -0.2836   0.6271 0.6631 -0.2853
C3 0.7855 0.5701 0.2758   -0.8013 0.5549 0.2608
O4 1.4361 -0.6323 -0.1659   -1.4192 -0.6677 -0.1724
H5 -1.7181 -0.5329 1.0818   1.7187 -0.4793 1.1055
H6 -2.1211 -0.8305 -0.4960   2.1449 -0.7866 -0.4642
H7 -1.1062 1.5865 0.0309   1.0686 1.6122 0.0223
H8 -0.5900 0.6543 -1.3670   0.5887 0.6513 -1.3690
H9 1.3882 1.3960 -0.0789   -1.4194 1.3621 -0.1103
H10 0.7643 0.6025 1.3647   -0.7922 0.6011 1.3493
H11 0.8384 -1.3736 -0.0921   -0.8052 -1.3938 -0.0835
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4747 2.4576 2.8560 0.9999 0.9982 2.1488 2.0821 3.4029 2.7418 2.4020
C2 1.4747 1.5331 2.4436 2.1050 2.1065 1.0910 1.0845 2.1697 2.1657 2.5146
C3 2.4576 1.5331 1.4367 2.8520 3.3175 2.1613 2.1443 1.0822 1.0895 1.9789
O4 2.8560 2.4436 1.4367 3.3934 3.5780 3.3801 2.6839 2.0307 2.0781 0.9550
H5 0.9999 2.1050 2.8520 3.3934 1.6554 2.4435 2.9459 3.8362 2.7444 2.9361
H6 0.9982 2.1065 3.3175 3.5780 1.6554 2.6739 2.3039 4.1769 3.7204 3.0359
H7 2.1488 1.0910 2.1613 3.3801 2.4435 2.6739 1.7577 2.5040 2.4992 3.5438
H8 2.0821 1.0845 2.1443 2.6839 2.9459 2.3039 1.7577 2.4744 3.0494 2.7889
H9 3.4029 2.1697 1.0822 2.0307 3.8362 4.1769 2.5040 2.4744 1.7615 2.8236
H10 2.7418 2.1657 1.0895 2.0781 2.7444 3.7204 2.4992 3.0494 1.7615 2.4562
H11 2.4020 2.5146 1.9789 0.9550 2.9361 3.0359 3.5438 2.7889 2.8236 2.4562
Maximum atom distance is 4.1769Å 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 109.567 C2 C3 O4 110.690
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 112.906 N1 C2 H8 107.922
C2 N1 H5 115.216 C2 N1 H6 115.472
C2 C3 H9 110.940 C2 C3 H10 110.187
C3 C2 H7 109.754 C3 C2 H8 108.795
C3 O4 H11 110.027 O4 C3 H9 106.601
O4 C3 H10 109.933 H5 N1 H6 111.890
H7 C2 H8 107.789 H9 C3 H10 108.403

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