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Geometry for C4H9NO (Propanamide, 2-methyl-) 1A C1

1910171554
InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6) INChIKey=WFKAJVHLWXSISD-UHFFFAOYSA-N

HF/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3544 1.2681 -0.0212   1.3544 1.2680 0.0261
H2 0.8477 2.1656 -0.3582   0.8595 2.1659 -0.3269
H3 1.4191 1.3017 1.0582   1.3825 1.3004 1.1071
H4 2.3580 1.2747 -0.4303   2.3713 1.2750 -0.3487
C5 1.3548 -1.2678 -0.0243   1.3547 -1.2679 0.0203
H6 0.8483 -2.1645 -0.3635   0.8600 -2.1642 -0.3369
H7 1.4195 -1.3040 1.0550   1.3828 -1.3053 1.1011
C8 0.6092 0.0006 -0.4664   0.6247 0.0011 -0.4454
H9 0.5355 0.0019 -1.5498   0.5878 0.0036 -1.5308
N10 -1.8218 0.0012 -0.7494   -1.7953 0.0022 -0.8108
H11 -2.7479 0.0007 -0.3920   -2.7330 0.0014 -0.4850
H12 -1.6915 0.0027 -1.7302   -1.6318 0.0048 -1.7866
C13 -0.7879 -0.0003 0.1245   -0.7917 -0.0003 0.0977
O14 -0.9722 -0.0022 1.3394   -1.0171 -0.0036 1.3056
H15 2.3583 -1.2731 -0.4335   2.3716 -1.2729 -0.3546
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 C8 H9 N10 H11 H12 C13 O14 H15
C1 1.0843 1.0818 1.0838 2.5359 3.4866 2.7889 1.5362 2.1472 3.4962 4.3096 3.7147 2.4940 2.9796 2.7633
H2 1.0843 1.7547 1.7549 3.4866 4.3301 3.7897 2.1807 2.4897 3.4589 4.1971 3.6066 2.7567 3.3005 3.7566
H3 1.0818 1.7547 1.7601 2.7889 3.7897 2.6057 2.1617 3.0450 3.9322 4.5999 4.3747 2.7273 2.7382 3.1204
H4 1.0838 1.7549 1.7601 2.7633 3.7566 3.1204 2.1640 2.4889 4.3811 5.2625 4.4391 3.4395 3.9816 2.5479
C5 2.5359 3.4866 2.7889 2.7633 1.0843 1.0818 1.5362 2.1472 3.4966 4.3100 3.7154 2.4940 2.9793 1.0838
H6 3.4866 4.3301 3.7897 3.7566 1.0843 1.7547 2.1807 2.4897 3.4595 4.1978 3.6077 2.7567 3.3000 1.7549
H7 2.7889 3.7897 2.6057 3.1204 1.0818 1.7547 2.1617 3.0450 3.9325 4.6003 4.3752 2.7273 2.7378 1.7601
C8 1.5362 2.1807 2.1617 2.1640 1.5362 2.1807 2.1617 1.0860 2.4474 3.3579 2.6250 1.5170 2.4003 2.1640
H9 2.1472 2.4897 3.0450 2.4889 2.1472 2.4897 3.0450 1.0860 2.4895 3.4815 2.2343 2.1342 3.2590 2.4889
N10 3.4962 3.4589 3.9322 4.3811 3.4966 3.4595 3.9325 2.4474 2.4895 0.9927 0.9894 1.3537 2.2549 4.3814
H11 4.3096 4.1971 4.5999 5.2625 4.3100 4.1978 4.6003 3.3579 3.4815 0.9927 1.7049 2.0268 2.4800 5.2629
H12 3.7147 3.6066 4.3747 4.4391 3.7154 3.6077 4.3752 2.6250 2.2343 0.9894 1.7049 2.0630 3.1527 4.4396
C13 2.4940 2.7567 2.7273 3.4395 2.4940 2.7567 2.7273 1.5170 2.1342 1.3537 2.0268 2.0630 1.2288 3.4395
O14 2.9796 3.3005 2.7382 3.9816 2.9793 3.3000 2.7378 2.4003 3.2590 2.2549 2.4800 3.1527 1.2288 3.9813
H15 2.7633 3.7566 3.1204 2.5479 1.0838 1.7549 1.7601 2.1640 2.4889 4.3814 5.2629 4.4396 3.4395 3.9813
Maximum atom distance is 5.2629Å between atoms H11 and H15.
picture of Propanamide, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C8 C5 111.249 C1 C8 C13 109.536
C5 C8 C13 109.538 C8 C13 N10 116.871
C8 C13 O14 121.547 N10 C13 O14 121.582
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C8 H9 108.725 H2 C1 H3 108.200
H2 C1 H4 108.080 H2 C1 C8 111.478
H3 C1 H4 108.728 H3 C1 C8 110.105
H4 C1 C8 110.171 C5 C8 H9 108.724
H6 C5 H7 108.199 H6 C5 C8 111.477
H6 C5 H15 108.080 H7 C5 C8 110.104
H7 C5 H15 108.729 C8 C5 H15 110.172
H9 C8 C13 109.030 H11 N10 H12 118.668
H11 N10 C13 118.691 H12 N10 C13 122.641

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