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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

B3LYP/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 2.6074 -0.0069 0.1208   -2.6061 -0.0712 0.1281
H2 1.7919 -1.5497 0.1094   -1.7518 -1.5929 0.1336
N3 1.7457 -0.5393 0.0762   -1.7313 -0.5822 0.0878
O4 0.4895 1.3757 -0.0512   -0.5243 1.3621 -0.0669
C5 0.5589 0.1388 -0.0239   -0.5623 0.1243 -0.0241
H6 -0.6784 -1.2194 -1.1306   0.7062 -1.2159 -1.1172
H7 -0.5859 -1.5928 0.5954   0.6274 -1.5700 0.6135
C8 -0.6735 -0.7719 -0.1267   0.6925 -0.7561 -0.1189
H9 -2.8464 -0.5645 -0.1325   2.8594 -0.4941 -0.1334
H10 -2.0252 0.3675 1.1414   2.0181 0.4327 1.1311
H11 -1.9445 0.9270 -0.5295   1.9192 0.9691 -0.5464
C12 -1.9612 0.0346 0.1009   1.9599 0.0853 0.0950
Atom - Atom Distances (Å)
  H1 H2 N3 O4 C5 H6 H7 C8 H9 H10 H11 C12
H1 1.7451 1.0139 2.5351 2.0588 3.7192 3.5969 3.3780 5.4881 4.7585 4.6920 4.5688
H2 1.7451 1.0119 3.2062 2.0949 2.7836 2.4273 2.5959 4.7479 4.3944 4.5280 4.0737
N3 1.0139 1.0119 2.2938 1.3705 2.7919 2.6107 2.4388 4.5968 4.0220 4.0168 3.7511
O4 2.5351 3.2062 2.2938 1.2391 3.0436 3.2228 2.4434 3.8599 2.9601 2.5208 2.7978
C5 2.0588 2.0949 1.3705 1.2391 2.1448 2.1662 1.5358 3.4788 2.8439 2.6728 2.5253
H6 3.7192 2.7836 2.7919 3.0436 2.1448 1.7683 1.0991 2.4749 3.0812 2.5635 2.1759
H7 3.5969 2.4273 2.6107 3.2228 2.1662 1.7683 1.0968 2.5878 2.4925 3.0758 2.1873
C8 3.3780 2.5959 2.4388 2.4434 1.5358 1.0991 1.0968 2.1827 2.1756 2.1596 1.5363
H9 5.4881 4.7479 4.5968 3.8599 3.4788 2.4749 2.5878 2.1827 1.7792 1.7876 1.0940
H10 4.7585 4.3944 4.0220 2.9601 2.8439 3.0812 2.4925 2.1756 1.7792 1.7639 1.0944
H11 4.6920 4.5280 4.0168 2.5208 2.6728 2.5635 3.0758 2.1596 1.7876 1.7639 1.0927
C12 4.5688 4.0737 3.7511 2.7978 2.5253 2.1759 2.1873 1.5363 1.0940 1.0944 1.0927
Maximum atom distance is 5.4881Å between atoms H1 and H9.
picture of Propanamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N3 C5 O4 122.956 N3 C5 C8 113.979
O4 C5 C8 123.055 C5 C8 C12 110.576
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N3 H2 118.953 H1 N3 C5 118.641
H2 N3 C5 122.406 C5 C8 H6 107.821
C5 C8 H7 109.612 H6 C8 H7 107.273
H6 C8 C12 110.200 H7 C8 C12 111.244
C8 C12 H9 111.048 C8 C12 H10 110.458
C8 C12 H11 109.299 H9 C12 H10 108.788
H9 C12 H11 109.664 H10 C12 H11 107.512

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