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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

B97D3/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.4595 1.3130 0.0000   -0.0541 1.9625 0.0000
C2 0.0000 0.7667 0.0000   0.5556 0.5283 0.0000
C3 -0.0401 -0.8047 0.0000   -0.5555 -0.5835 0.0000
N4 -1.4374 -1.4339 0.0000   -0.0487 -2.0297 0.0000
H5 1.4636 2.4197 0.0000   0.7451 2.7280 0.0000
H6 2.0053 0.9625 0.8965   -0.6843 2.1164 0.8965
H7 2.0053 0.9625 -0.8965   -0.6843 2.1164 -0.8965
H8 -0.5382 1.1448 0.8949   1.2005 0.3988 0.8949
H9 -0.5382 1.1448 -0.8949   1.2005 0.3988 -0.8949
H10 0.4947 -1.1838 -0.8983   -1.1988 -0.4572 -0.8983
H11 0.4947 -1.1838 0.8983   -1.1988 -0.4572 0.8983
H12 -1.9210 -0.9398 -0.8222   0.6426 -2.0397 -0.8222
H13 -1.9210 -0.9398 0.8222   0.6426 -2.0397 0.8222
Atom - Atom Distances (Å)
  C1 C2 C3 N4 H5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5584 2.5949 3.9922 1.1067 1.1065 1.1065 2.1954 2.1954 2.8235 2.8235 4.1448 4.1448
C2 1.5584 1.5719 2.6285 2.2078 2.2053 2.2053 1.1106 1.1106 2.2037 2.2037 2.6979 2.6979
C3 2.5949 1.5719 1.5325 3.5578 2.8478 2.8478 2.2022 2.2022 1.1121 1.1121 2.0572 2.0572
N4 3.9922 2.6285 1.5325 4.8235 4.2893 4.2893 2.8739 2.8739 2.1454 2.1454 1.0742 1.0742
H5 1.1067 2.2078 3.5578 4.8235 1.7946 1.7946 2.5364 2.5364 3.8381 3.8381 4.8392 4.8392
H6 1.1065 2.2053 2.8478 4.2893 1.7946 1.7929 2.5500 3.1163 3.1796 2.6246 4.6892 4.3635
H7 1.1065 2.2053 2.8478 4.2893 1.7946 1.7929 3.1163 2.5500 2.6246 3.1796 4.3635 4.6892
H8 2.1954 1.1106 2.2022 2.8739 2.5364 2.5500 3.1163 1.7898 3.1153 2.5475 3.0342 2.5026
H9 2.1954 1.1106 2.2022 2.8739 2.5364 3.1163 2.5500 1.7898 2.5475 3.1153 2.5026 3.0342
H10 2.8235 2.2037 1.1121 2.1454 3.8381 3.1796 2.6246 3.1153 2.5475 1.7966 2.4292 2.9758
H11 2.8235 2.2037 1.1121 2.1454 3.8381 2.6246 3.1796 2.5475 3.1153 1.7966 2.9758 2.4292
H12 4.1448 2.6979 2.0572 1.0742 4.8392 4.6892 4.3635 3.0342 2.5026 2.4292 2.9758 1.6444
H13 4.1448 2.6979 2.0572 1.0742 4.8392 4.3635 4.6892 2.5026 3.0342 2.9758 2.4292 1.6444
Maximum atom distance is 4.8392Å 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 111.984 C2 C3 N4 115.702
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.540 C1 C2 H9 109.540
C2 C1 H5 110.732 C2 C1 H6 110.540
C2 C1 H7 110.540 C2 C3 H10 109.180
C2 C3 H11 109.180 C3 C2 H8 109.148
C3 C2 H9 109.148 C3 N4 H12 102.804
C3 N4 H13 102.804 N4 C3 H10 107.370
N4 C3 H11 107.370 H5 C1 H6 108.361
H5 C1 H7 108.361 H6 C1 H7 108.223
H8 C2 H9 107.368 H10 C3 H11 107.758
H12 N4 H13 99.885

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