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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

BLYP/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.8006 -0.6758 0.0001   0.8207 -0.6512 -0.0005
C2 0.4753 0.1295 0.0000   -0.4790 0.1151 0.0009
N3 1.6276 -0.6400 -0.0002   -1.6074 -0.6890 0.0043
O4 0.4940 1.3845 0.0001   -0.5357 1.3689 -0.0009
C5 -1.9801 -0.0372 -0.0001   1.9803 0.0228 -0.0043
H6 -0.7314 -1.7672 0.0005   0.7846 -1.7442 0.0016
H7 2.5312 -0.1619 -0.0002   -2.5251 -0.2385 0.0055
H8 1.6092 -1.6609 0.0004   -1.5581 -1.7089 0.0064
H9 -1.9844 1.0562 -0.0004   1.9515 1.1159 -0.0063
H10 -2.9367 -0.5612 -0.0002   2.9523 -0.4720 -0.0057
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.5088 2.4284 2.4332 1.3413 1.0936 3.3711 2.6033 2.0980 2.1392
C2 1.5088 1.3856 1.2551 2.4611 2.2481 2.0764 2.1193 2.6285 3.4812
N3 2.4284 1.3856 2.3202 3.6577 2.6145 1.0223 1.0211 3.9904 4.5649
O4 2.4332 1.2551 2.3202 2.8535 3.3815 2.5576 3.2432 2.5000 3.9440
C5 1.3413 2.4611 3.6577 2.8535 2.1336 4.5130 3.9395 1.0934 1.0907
H6 1.0936 2.2481 2.6145 3.3815 2.1336 3.6362 2.3430 3.0890 2.5135
H7 3.3711 2.0764 1.0223 2.5576 4.5130 3.6362 1.7599 4.6770 5.4824
H8 2.6033 2.1193 1.0211 3.2432 3.9395 2.3430 1.7599 4.5052 4.6770
H9 2.0980 2.6285 3.9904 2.5000 1.0934 3.0890 4.6770 4.5052 1.8769
H10 2.1392 3.4812 4.5649 3.9440 1.0907 2.5135 5.4824 4.6770 1.8769
Maximum atom distance is 5.4824Å 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 114.004 C1 C2 O4 123.111
C2 C1 C5 119.309 N3 C2 O4 122.884
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 118.657 C1 C5 H10 122.855
C2 C1 H6 118.635 C2 N3 H7 118.382
C2 N3 H8 122.704 C5 C1 H6 122.055
H7 N3 H8 118.914 H9 C5 H10 118.488

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