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Geometry for CH2CHCONH2 (Acrylamide) 1A CS

1910171554
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) INChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N

B3LYP/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.8008 -0.6538 -0.0044   -0.7804 0.6781 -0.0044
C2 0.4756 0.1279 -0.0014   0.4715 -0.1424 -0.0014
N3 1.6123 -0.6358 -0.0097   1.6310 0.5861 -0.0096
O4 0.5124 1.3521 -0.0005   0.4707 -1.3672 -0.0004
C5 -1.9769 -0.0267 0.0038   -1.9752 0.0873 0.0038
H6 -0.7435 -1.7409 -0.0138   -0.6898 1.7629 -0.0138
H7 2.5006 -0.1609 0.0313   2.5044 0.0842 0.0313
H8 1.5936 -1.6403 0.0511   1.6431 1.5907 0.0511
H9 -2.0055 1.0587 0.0120   -2.0370 -0.9968 0.0119
H10 -2.9177 -0.5672 0.0023   -2.8989 0.6564 0.0022
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.4968 2.4131 2.3976 1.3329 1.0886 3.3382 2.5903 2.0939 2.1187
C2 1.4968 1.3694 1.2247 2.4574 2.2313 2.0458 2.0927 2.6500 3.4637
N3 2.4131 1.3694 2.2719 3.6405 2.6021 1.0081 1.0066 3.9950 4.5305
O4 2.3976 1.2247 2.2719 2.8457 3.3383 2.4987 3.1822 2.5349 3.9305
C5 1.3329 2.4574 3.6405 2.8457 2.1119 4.4796 3.9185 1.0858 1.0850
H6 1.0886 2.2313 2.6021 3.3383 2.1119 3.6087 2.3402 3.0710 2.4708
H7 3.3382 2.0458 1.0081 2.4987 4.4796 3.6087 1.7354 4.6683 5.4336
H8 2.5903 2.0927 1.0066 3.1822 3.9185 2.3402 1.7354 4.4989 4.6374
H9 2.0939 2.6500 3.9950 2.5349 1.0858 3.0710 4.6683 4.4989 1.8644
H10 2.1187 3.4637 4.5305 3.9305 1.0850 2.4708 5.4336 4.6374 1.8644
Maximum atom distance is 5.4336Å between atoms H7 and H10.
picture of Acrylamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 114.616 C1 C2 O4 123.208
C2 C1 C5 120.444 N3 C2 O4 122.174
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 119.575 C1 C5 H10 122.051
C2 C1 H6 118.470 C2 N3 H7 117.936
C2 N3 H8 122.739 C5 C1 H6 121.085
H7 N3 H8 118.945 H9 C5 H10 118.373

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