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Geometry for NH2CH2CH2CH3 (1-Propanamine) 1A' CS

1910171554
InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 INChIKey=WGYKZJWCGVVSQN-UHFFFAOYSA-N

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.4305 1.2921 0.0000   -0.0516 1.9269 0.0000
C2 0.0000 0.7478 0.0000   0.5413 0.5159 0.0000
C3 -0.0557 -0.7844 0.0000   -0.5294 -0.5815 0.0000
N4 -1.3880 -1.3695 0.0000   -0.0337 -1.9496 0.0000
H5 1.4400 2.3802 0.0000   0.7294 2.6846 0.0000
H6 1.9795 0.9566 0.8789   -0.6733 2.0929 0.8789
H7 1.9795 0.9566 -0.8789   -0.6733 2.0929 -0.8789
H8 -0.5352 1.1249 0.8734   1.1835 0.3887 0.8734
H9 -0.5352 1.1249 -0.8734   1.1835 0.3887 -0.8734
H10 0.4743 -1.1679 -0.8709   -1.1727 -0.4625 -0.8709
H11 0.4743 -1.1679 0.8709   -1.1727 -0.4625 0.8709
H12 -1.9050 -1.0766 -0.8053   0.5350 -2.1218 -0.8053
H13 -1.9050 -1.0766 0.8053   0.5350 -2.1218 0.8053
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5305 2.5535 3.8766 1.0882 1.0892 1.0892 2.1574 2.1574 2.7793 2.7793 4.1695 4.1695
C2 1.5305 1.5332 2.5316 2.1768 2.1759 2.1759 1.0915 1.0915 2.1571 2.1571 2.7579 2.7579
C3 2.5535 1.5332 1.4551 3.5003 2.8188 2.8188 2.1536 2.1536 1.0892 1.0892 2.0381 2.0381
N4 3.8766 2.5316 1.4551 4.6966 4.1860 4.1860 2.7771 2.7771 2.0657 2.0657 1.0008 1.0008
H5 1.0882 2.1768 3.5003 4.6966 1.7579 1.7579 2.4980 2.4980 3.7789 3.7789 4.8772 4.8772
H6 1.0892 2.1759 2.8188 4.1860 1.7579 1.7578 2.5203 3.0696 3.1370 2.6037 4.6967 4.3850
H7 1.0892 2.1759 2.8188 4.1860 1.7579 1.7578 3.0696 2.5203 2.6037 3.1370 4.3850 4.6967
H8 2.1574 1.0915 2.1536 2.7771 2.4980 2.5203 3.0696 1.7468 3.0526 2.5052 3.0889 2.5938
H9 2.1574 1.0915 2.1536 2.7771 2.4980 3.0696 2.5203 1.7468 2.5052 3.0526 2.5938 3.0889
H10 2.7793 2.1571 1.0892 2.0657 3.7789 3.1370 2.6037 3.0526 2.5052 1.7417 2.3819 2.9118
H11 2.7793 2.1571 1.0892 2.0657 3.7789 2.6037 3.1370 2.5052 3.0526 1.7417 2.9118 2.3819
H12 4.1695 2.7579 2.0381 1.0008 4.8772 4.6967 4.3850 3.0889 2.5938 2.3819 2.9118 1.6106
H13 4.1695 2.7579 2.0381 1.0008 4.8772 4.3850 4.6967 2.5938 3.0889 2.9118 2.3819 1.6106
Maximum atom distance is 4.8772Å between atoms H5 and H12.
picture of 1-Propanamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.915 C2 C3 N4 115.792
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.594 C1 C2 H9 109.594
C2 C1 H5 111.335 C2 C1 H6 111.194
C2 C1 H7 111.194 C2 C3 H10 109.523
C2 C3 H11 109.523 C3 C2 H8 109.116
C3 C2 H9 109.116 C3 N4 H12 110.814
C3 N4 H13 110.814 N4 C3 H10 107.694
N4 C3 H11 107.694 H5 C1 H6 107.673
H5 C1 H7 107.673 H6 C1 H7 107.588
H8 C2 H9 106.287 H10 C3 H11 106.171
H12 N4 H13 107.156

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