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Geometry for CH3CONH2 (Acetamide) 1A' C1

1910171554
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) INChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N

BLYP/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3839 -0.3277 -0.0001   -1.2890 0.6010 -0.0000
C2 0.0750 0.1409 -0.0044   0.0449 -0.1532 -0.0044
N3 1.0277 -0.8646 0.0004   1.1814 0.6387 0.0004
O4 0.3930 1.3607 0.0003   0.1095 -1.4121 0.0001
H5 -1.9303 0.1986 -0.7982   -1.9305 0.1962 -0.7981
H6 -1.4993 -1.4141 -0.1428   -1.1821 1.6883 -0.1426
H7 -1.8523 -0.0461 0.9580   -1.8046 0.4200 0.9581
H8 2.0101 -0.6002 0.0107   2.0900 0.1810 0.0106
H9 0.7877 -1.8512 -0.0057   1.1461 1.6535 -0.0056
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5323 2.4707 2.4511 1.1011 1.1018 1.1030 3.4050 2.6528
C2 1.5323 1.3852 1.2605 2.1574 2.2171 2.1623 2.0723 2.1158
N3 2.4707 1.3852 2.3140 3.2431 2.5900 3.1435 1.0174 1.0154
O4 2.4511 1.2605 2.3140 2.7176 3.3616 2.8174 2.5417 3.2361
H5 1.1011 2.1574 3.2431 2.7176 1.7933 1.7748 4.1011 3.4953
H6 1.1018 2.2171 2.5900 3.3616 1.7933 1.7910 3.6058 2.3324
H7 1.1030 2.1623 3.1435 2.8174 1.7748 1.7910 4.0153 3.3402
H8 3.4050 2.0723 1.0174 2.5417 4.1011 3.6058 4.0153 1.7492
H9 2.6528 2.1158 1.0154 3.2361 3.4953 2.3324 3.3402 1.7492
Maximum atom distance is 4.1011Å between atoms H5 and H8.
picture of Acetamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 115.648 C1 C2 O4 122.420
N3 C2 O4 121.928
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.918 C2 C1 H6 113.632
C2 C1 H7 109.189 C2 N3 H8 118.397
C2 N3 H9 122.869 H5 C1 H6 108.993
H5 C1 H7 107.269 H6 C1 H7 108.648
H8 N3 H9 118.734

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