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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

CID/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3647 -0.3011 -0.0000   1.3323 -0.4221 0.0007
C2 0.0771 0.1516 -0.0041   -0.0632 0.1579 -0.0042
N3 0.9956 -0.8581 -0.0443   -1.0684 -0.7656 -0.0443
O4 0.4033 1.3181 0.0074   -0.2836 1.3490 0.0066
H5 -2.0017 0.5667 -0.1327   2.0445 0.3852 -0.1321
H6 -1.5513 -1.0198 -0.7970   1.4541 -1.1550 -0.7958
H7 -1.6062 -0.7784 0.9503   1.5296 -0.9186 0.9514
H8 1.9563 -0.6043 0.1011   -2.0026 -0.4266 0.1005
H9 0.7334 -1.8052 0.1536   -0.8921 -1.7322 0.1541
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5112 2.4255 2.3975 1.0847 1.0893 1.0905 3.3363 2.5861
C2 1.5112 1.3655 1.2114 2.1237 2.1570 2.1469 2.0282 2.0699
N3 2.4255 1.3655 2.2560 3.3199 2.6607 2.7865 1.0043 1.0024
O4 2.3975 1.2114 2.2560 2.5235 3.1518 3.0532 2.4731 3.1441
H5 1.0847 2.1237 3.3199 2.5235 1.7780 1.7716 4.1342 3.6316
H6 1.0893 2.1570 2.6607 3.1518 1.7780 1.7647 3.6445 2.5962
H7 1.0905 2.1469 2.7865 3.0532 1.7716 1.7647 3.6664 2.6763
H8 3.3363 2.0282 1.0043 2.4731 4.1342 3.6445 3.6664 1.7148
H9 2.5861 2.0699 1.0024 3.1441 3.6316 2.5962 2.6763 1.7148
Maximum atom distance is 4.1342Å 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 114.854 C1 C2 O4 123.049
N3 C2 O4 122.089
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.681 C2 C1 H6 111.047
C2 C1 H7 110.165 C2 N3 H8 116.891
C2 N3 H9 121.121 H5 C1 H6 109.740
H5 C1 H7 109.072 H6 C1 H7 108.112
H8 N3 H9 117.419

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