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Geometry for C3H7NO (Propanamide) 1A' C1

1910171554
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5) INChIKey=QLNJFJADRCOGBJ-UHFFFAOYSA-N

QCISD/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.9774 0.0342 0.0002   1.9776 -0.0141 0.0037
C2 -0.6683 -0.7920 -0.0002   0.6487 -0.8081 0.0029
C3 0.5624 0.1394 -0.0001   -0.5588 0.1531 -0.0014
O4 0.4708 1.3836 -0.0001   -0.4369 1.3947 -0.0042
N5 1.7706 -0.5266 0.0003   -1.7830 -0.4832 -0.0017
H6 -2.8521 -0.6307 -0.0001   2.8358 -0.7001 0.0066
H7 -2.0148 0.6795 0.8866   2.0292 0.6323 0.8887
H8 -2.0148 0.6802 -0.8858   2.0323 0.6287 -0.8837
H9 -0.6192 -1.4411 -0.8889   0.5854 -1.4580 -0.8843
H10 -0.6191 -1.4417 0.8881   0.5821 -1.4543 0.8926
H11 1.8328 -1.5366 -0.0004   -1.8697 -1.4913 -0.0001
H12 2.6257 0.0180 -0.0000   -2.6244 0.0821 -0.0049
Atom - Atom Distances (Å)
  C1 C2 C3 O4 N5 H6 H7 H8 H9 H10 H11 H12
C1 1.5480 2.5419 2.7954 3.7897 1.0987 1.0971 1.0971 2.1935 2.1935 4.1212 4.6031
C2 1.5480 1.5434 2.4558 2.4533 2.1897 2.1829 2.1829 1.1016 1.1016 2.6095 3.3921
C3 2.5419 1.5434 1.2476 1.3796 3.5002 2.7784 2.7783 2.1643 2.1644 2.1030 2.0668
O4 2.7954 2.4558 1.2476 2.3105 3.8857 2.7313 2.7308 3.1556 3.1559 3.2222 2.5511
N5 3.7897 2.4533 1.3796 2.3105 4.6239 4.0706 4.0707 2.7090 2.7086 1.0119 1.0137
H6 1.0987 2.1897 3.5002 3.8857 4.6239 1.7900 1.7899 2.5362 2.5363 4.7716 5.5160
H7 1.0971 2.1829 2.7784 2.7313 4.0706 1.7900 1.7724 3.0979 2.5392 4.5278 4.7705
H8 1.0971 2.1829 2.7783 2.7308 4.0707 1.7899 1.7724 2.5392 3.0979 4.5279 4.7704
H9 2.1935 1.1016 2.1643 3.1556 2.7090 2.5362 3.0979 2.5392 1.7769 2.6098 3.6672
H10 2.1935 1.1016 2.1644 3.1559 2.7086 2.5363 2.5392 3.0979 1.7769 2.6096 3.6672
H11 4.1212 2.6095 2.1030 3.2222 1.0119 4.7716 4.5278 4.5279 2.6098 2.6096 1.7451
H12 4.6031 3.3921 2.0668 2.5511 1.0137 5.5160 4.7705 4.7704 3.6672 3.6672 1.7451
Maximum atom distance is 5.5160Å between atoms H6 and H12.
picture of Propanamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C5 O4 26.903 N3 C5 C8 16.754
O4 C5 C8 39.801 C5 C8 C12 9.549
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N3 H2 34.749 H1 N3 C5 148.766
H2 N3 C5 114.018 C5 C8 H6 96.325
C5 C8 H7 77.421 H6 C8 H7 60.325
H6 C8 C12 105.159 H7 C8 C12 79.296
C8 C12 H9 31.734 C8 C12 H10 40.493
C8 C12 H11 71.437 H9 C12 H10 28.042
H9 C12 H11 40.841 H10 C12 H11 40.837

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