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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

B1B95/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.5873 -0.0151 -0.0974   2.5869 0.0465 -0.0986
H2 -1.7795 -1.5408 -0.0603   1.8158 -1.4980 -0.0580
N3 -1.7302 -0.5399 -0.1037   1.7426 -0.4986 -0.1034
O4 -0.5077 1.3487 0.0583   0.4754 1.3605 0.0553
C5 -0.5571 0.1377 0.0284   0.5537 0.1510 0.0278
H6 0.6846 -1.1684 1.1510   -0.6560 -1.1821 1.1537
H7 0.5884 -1.5913 -0.5430   -0.5504 -1.6061 -0.5394
C8 0.6768 -0.7422 0.1416   -0.6588 -0.7579 0.1434
H9 2.8324 -0.5877 0.0577   -2.8176 -0.6551 0.0602
H10 1.9903 0.4054 -1.1375   -1.9999 0.3554 -1.1374
H11 2.0066 0.9029 0.5437   -2.0274 0.8558 0.5428
C12 1.9534 0.0354 -0.1124   -1.9537 -0.0115 -0.1115
Atom - Atom Distances (Å)
  H1 H2 N3 O4 C5 H6 H7 C8 H9 H10 H11 C12
H1 1.7268 1.0049 2.4917 2.0398 3.6870 3.5732 3.3526 5.4521 4.7130 4.7283 4.5409
H2 1.7268 1.0031 3.1592 2.0783 2.7709 2.4171 2.5907 4.7109 4.3771 4.5466 4.0524
N3 1.0049 1.0031 2.2555 1.3611 2.7930 2.5835 2.4279 4.5658 3.9755 4.0577 3.7283
O4 2.4917 3.1592 2.2555 1.2124 2.9919 3.1948 2.4045 3.8609 2.9257 2.5993 2.7948
C5 2.0398 2.0783 1.3611 1.2124 2.1232 2.1513 1.5197 3.4664 2.8143 2.7247 2.5165
H6 3.6870 2.7709 2.7930 2.9919 2.1232 1.7487 1.0958 2.4791 3.0690 2.5312 2.1576
H7 3.5732 2.4171 2.5835 3.1948 2.1513 1.7487 1.0943 2.5306 2.5111 3.0681 2.1668
C8 3.3526 2.5907 2.4279 2.4045 1.5197 1.0958 1.0943 2.1628 2.1629 2.1533 1.5162
H9 5.4521 4.7109 4.5658 3.8609 3.4664 2.4791 2.5306 2.1628 1.7675 1.7720 1.0908
H10 4.7130 4.3771 3.9755 2.9257 2.8143 3.0690 2.5111 2.1629 1.7675 1.7533 1.0905
H11 4.7283 4.5466 4.0577 2.5993 2.7247 2.5312 3.0681 2.1533 1.7720 1.7533 1.0889
C12 4.5409 4.0524 3.7283 2.7948 2.5165 2.1576 2.1668 1.5162 1.0908 1.0905 1.0889
Maximum atom distance is 5.4521Å 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 122.322 N3 C5 C8 114.760
O4 C5 C8 122.917 C5 C8 C12 111.976
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N3 H2 118.612 H1 N3 C5 118.328
H2 N3 C5 122.331 C5 C8 H6 107.435
C5 C8 H7 109.700 H6 C8 H7 105.966
H6 C8 C12 110.349 H7 C8 C12 111.174
C8 C12 H9 111.067 C8 C12 H10 111.097
C8 C12 H11 110.416 H9 C12 H10 108.244
H9 C12 H11 108.769 H10 C12 H11 107.123

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