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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

MP2=FULL/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7969 -0.6536 -0.0225   0.7775 -0.6767 -0.0176
C2 0.4747 0.1248 -0.0034   -0.4709 0.1386 -0.0056
N3 1.6126 -0.6421 -0.0319   -1.6305 -0.5948 -0.0363
O4 0.5145 1.3571 -0.0068   -0.4746 1.3715 -0.0126
C5 -1.9786 -0.0255 0.0195   1.9769 -0.0832 0.0272
H6 -0.7417 -1.7344 -0.0731   0.6910 -1.7556 -0.0653
H7 2.4856 -0.1617 0.1191   -2.4897 -0.0887 0.1099
H8 1.5769 -1.6199 0.2002   -1.6243 -1.5726 0.1987
H9 -2.0122 1.0536 0.0641   2.0418 0.9946 0.0690
H10 -2.9085 -0.5737 0.0057   2.8904 -0.6584 0.0186
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.4910 2.4095 2.4006 1.3389 1.0834 3.3221 2.5725 2.0974 2.1133
C2 1.4910 1.3724 1.2330 2.4580 2.2229 2.0348 2.0737 2.6556 3.4546
N3 2.4095 1.3724 2.2810 3.6440 2.5957 1.0078 1.0056 4.0029 4.5217
O4 2.4006 1.2330 2.2810 2.8509 3.3377 2.4915 3.1677 2.5458 3.9300
C5 1.3389 2.4580 3.6440 2.8509 2.1116 4.4673 3.9008 1.0806 1.0796
H6 1.0834 2.2229 2.5957 3.3377 2.1116 3.5953 2.3375 3.0669 2.4593
H7 3.3221 2.0348 1.0078 2.4915 4.4673 3.5953 1.7201 4.6594 5.4110
H8 2.5725 2.0737 1.0056 3.1677 3.9008 2.3375 1.7201 4.4774 4.6099
H9 2.0974 2.6556 4.0029 2.5458 1.0806 3.0669 4.6594 4.4774 1.8588
H10 2.1133 3.4546 4.5217 3.9300 1.0796 2.4593 5.4110 4.6099 1.8588
Maximum atom distance is 5.4110Å 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 114.526 C1 C2 O4 123.316
C2 C1 C5 120.489 N3 C2 O4 122.116
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H9 119.818 C1 C5 H10 121.442
C2 C1 H6 118.556 C2 N3 H7 116.665
C2 N3 H8 120.602 C5 C1 H6 120.955
H7 N3 H8 117.366 H9 C5 H10 118.740

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