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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

B3PW91/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3414 -0.5589 0.1205   -1.3239 -0.6007 0.1126
C2 -0.6297 0.6638 -0.2626   -0.6481 0.6409 -0.2746
C3 0.7978 0.5566 0.2594   0.7770 0.5842 0.2620
O4 1.3793 -0.6501 -0.1671   1.4011 -0.6069 -0.1479
H5 -1.6470 -0.5098 1.0863   -1.6405 -0.5530 1.0749
H6 -2.1657 -0.7005 -0.4493   -2.1376 -0.7737 -0.4637
H7 -1.1054 1.5923 0.0885   -1.1568 1.5567 0.0636
H8 -0.5972 0.6983 -1.3559   -0.6058 0.6669 -1.3678
H9 1.4113 1.3805 -0.1166   1.3674 1.4241 -0.1154
H10 0.7912 0.6277 1.3618   0.7572 0.6646 1.3636
H11 0.6590 -1.2969 -0.1024   0.7012 -1.2759 -0.0844
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4657 2.4166 2.7374 1.0142 1.0120 2.1643 2.0770 3.3756 2.7380 2.1438
C2 1.4657 1.5238 2.4025 2.0570 2.0629 1.1008 1.0943 2.1681 2.1585 2.3518
C3 2.4166 1.5238 1.4058 2.7925 3.2962 2.1736 2.1390 1.0938 1.1047 1.8936
O4 2.7374 2.4025 1.4058 3.2786 3.5566 3.3568 2.6717 2.0315 2.0776 0.9703
H5 1.0142 2.0570 2.7925 3.2786 1.6320 2.3890 2.9198 3.7912 2.7045 2.7111
H6 1.0120 2.0629 3.2962 3.5566 1.6320 2.5827 2.2888 4.1517 3.7131 2.9078
H7 2.1643 1.1008 2.1736 3.3568 2.3890 2.5827 1.7731 2.5340 2.4797 3.3908
H8 2.0770 1.0943 2.1390 2.6717 2.9198 2.2888 1.7731 2.4567 3.0526 2.6702
H9 3.3756 2.1681 1.0938 2.0315 3.7912 4.1517 2.5340 2.4567 1.7711 2.7811
H10 2.7380 2.1585 1.1047 2.0776 2.7045 3.7131 2.4797 3.0526 1.7711 2.4219
H11 2.1438 2.3518 1.8936 0.9703 2.7111 2.9078 3.3908 2.6702 2.7811 2.4219
Maximum atom distance is 4.1517Å 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 107.861 C2 C3 O4 110.122
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 114.233 N1 C2 H8 107.568
C2 N1 H5 110.781 C2 N1 H6 111.414
C2 C3 H9 110.776 C2 C3 H10 109.370
C3 C2 H7 110.791 C3 C2 H8 108.458
C3 O4 H11 104.176 O4 C3 H9 108.079
O4 C3 H10 111.129 H5 N1 H6 107.305
H7 C2 H8 107.754 H9 C3 H10 107.328

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