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Geometry for HOCH2CH2NH2 (monoethanolamine)

1910171554

CISD/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -1.3610 -0.5557 0.1235   1.3808 -0.4991 0.1432
C2 -0.6287 0.6455 -0.2760   0.6051 0.6674 -0.2766
C3 0.7846 0.5497 0.2721   -0.8088 0.5205 0.2582
O4 1.4035 -0.6265 -0.1698   -1.3753 -0.6843 -0.1771
H5 -1.6670 -0.4813 1.0791   1.6736 -0.4024 1.1009
H6 -2.1780 -0.6891 -0.4451   2.2085 -0.6053 -0.4158
H7 -1.1009 1.5785 0.0474   1.0360 1.6220 0.0413
H8 -0.5737 0.6565 -1.3631   0.5611 0.6648 -1.3643
H9 1.3873 1.3876 -0.0712   -1.4412 1.3297 -0.1002
H10 0.7550 0.5880 1.3678   -0.7923 0.5713 1.3537
H11 0.7409 -1.3094 -0.0978   -0.6866 -1.3392 -0.0910
Atom - Atom Distances (Å)
  N1 C2 C3 O4 H5 H6 H7 H8 H9 H10 H11
N1 1.4624 2.4181 2.7809 1.0061 1.0043 2.1514 2.0735 3.3716 2.7081 2.2438
C2 1.4624 1.5189 2.3999 2.0454 2.0518 1.0945 1.0886 2.1580 2.1494 2.3936
C3 2.4181 1.5189 1.4007 2.7793 3.2902 2.1596 2.1284 1.0878 1.0968 1.8961
O4 2.7809 2.3999 1.4007 3.3180 3.5926 3.3438 2.6419 2.0166 2.0639 0.9543
H5 1.0061 2.0454 2.7793 3.3180 1.6210 2.3722 2.9076 3.7610 2.6632 2.8051
H6 1.0043 2.0518 3.2902 3.5926 1.6210 2.5582 2.2862 4.1429 3.6770 3.0042
H7 2.1514 1.0945 2.1596 3.3438 2.3722 2.5582 1.7656 2.4983 2.4837 3.4283
H8 2.0735 1.0886 2.1284 2.6419 2.9076 2.2862 1.7656 2.4595 3.0378 2.6822
H9 3.3716 2.1580 1.0878 2.0166 3.7610 4.1429 2.4983 2.4595 1.7635 2.7735
H10 2.7081 2.1494 1.0968 2.0639 2.6632 3.6770 2.4837 3.0378 1.7635 2.3976
H11 2.2438 2.3936 1.8961 0.9543 2.8051 3.0042 3.4283 2.6822 2.7735 2.3976
Maximum atom distance is 4.1429Å 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 108.392 C2 C3 O4 110.506
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H7 113.795 N1 C2 H8 107.844
C2 N1 H5 110.546 C2 N1 H6 111.203
C2 C3 H9 110.680 C2 C3 H10 109.465
C3 C2 H7 110.397 C3 C2 H8 108.300
C3 O4 H11 105.682 O4 C3 H9 107.600
O4 C3 H10 110.880 H5 N1 H6 107.469
H7 C2 H8 107.953 H9 C3 H10 107.659

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