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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

TPSSh/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.8018 -0.6534 -0.0100   0.7818 -0.6772 -0.0072
C2 0.4795 0.1315 0.0001   -0.4753 0.1459 -0.0011
N3 1.6161 -0.6398 -0.0161   -1.6346 -0.5909 -0.0186
O4 0.5154 1.3571 -0.0032   -0.4743 1.3720 -0.0064
C5 -1.9851 -0.0286 0.0085   1.9833 -0.0883 0.0129
H6 -0.7410 -1.7406 -0.0340   0.6883 -1.7622 -0.0297
H7 2.5097 -0.1731 0.0549   -2.5139 -0.0974 0.0497
H8 1.5915 -1.6426 0.0942   -1.6404 -1.5938 0.0933
H9 -2.0285 1.0570 0.0291   2.0594 0.9955 0.0319
H10 -2.9225 -0.5762 0.0022   2.9039 -0.6639 0.0095
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.5026 2.4180 2.4036 1.3382 1.0892 3.3468 2.5918 2.1052 2.1221
C2 1.5026 1.3738 1.2261 2.4698 2.2351 2.0537 2.0959 2.6735 3.4748
N3 2.4180 1.3738 2.2803 3.6528 2.6016 1.0106 1.0091 4.0206 4.5392
O4 2.4036 1.2261 2.2803 2.8588 3.3430 2.5144 3.1884 2.5617 3.9442
C5 1.3382 2.4698 3.6528 2.8588 2.1168 4.4974 3.9248 1.0867 1.0857
H6 1.0892 2.2351 2.6016 3.3430 2.1168 3.6100 2.3380 3.0803 2.4731
H7 3.3468 2.0537 1.0106 2.5144 4.4974 3.6100 1.7333 4.7021 5.4474
H8 2.5918 2.0959 1.0091 3.1884 3.9248 2.3380 1.7333 4.5163 4.6392
H9 2.1052 2.6735 4.0206 2.5617 1.0867 3.0803 4.7021 4.5163 1.8621
H10 2.1221 3.4748 4.5392 3.9442 1.0857 2.4731 5.4474 4.6392 1.8621
Maximum atom distance is 5.4474Å 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 114.340 C1 C2 O4 123.166
C2 C1 C5 120.664 N3 C2 O4 122.480
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 120.134 C1 C5 H10 121.864
C2 C1 H6 118.290 C2 N3 H7 118.125
C2 N3 H8 122.441 C5 C1 H6 121.046
H7 N3 H8 118.222 H9 C5 H10 118.002

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