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Geometry for CH3CHCH3 (Isopropyl radical) 2A C2

1910171554
InChI=1S/C3H7/c1-3-2/h3H,1-2H3 INChIKey=HNUALPPJLMYHDK-UHFFFAOYSA-N

B3LYP/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0147 0.5589 0.0000   0.0176 -0.5586 -0.0147
C2 -0.0147 -0.1859 1.3099   1.3034 0.2272 -0.0147
C3 -0.0147 -0.1859 -1.3099   -1.3151 0.1445 -0.0147
H4 0.2342 1.6209 0.0000   0.0511 -1.6201 0.2342
H5 -0.7757 -0.9818 1.3202   1.2886 1.0229 -0.7757
H6 -0.7757 -0.9818 -1.3202   -1.3506 0.9396 -0.7757
H7 0.9553 -0.6836 1.5025   1.4802 0.7306 0.9553
H8 -0.2087 0.4809 2.1594   2.1735 -0.4125 -0.2087
H9 0.9553 -0.6836 -1.5025   -1.5233 0.6359 0.9553
H10 -0.2087 0.4809 -2.1594   -2.1432 -0.5488 -0.2087
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5068 1.5068 1.0908 2.1669 2.1669 2.1776 2.1695 2.1776 2.1695
C2 1.5068 2.6198 2.2455 1.1012 2.8513 1.1071 1.0973 3.0163 3.5381
C3 1.5068 2.6198 2.2455 2.8513 1.1012 3.0163 3.5381 1.1071 1.0973
H4 1.0908 2.2455 2.2455 3.0881 3.0881 2.8440 2.4817 2.8440 2.4817
H5 2.1669 1.1012 2.8513 3.0881 2.6405 1.7659 1.7791 3.3246 3.8169
H6 2.1669 2.8513 1.1012 3.0881 2.6405 3.3246 3.8169 1.7659 1.7791
H7 2.1776 1.1071 3.0163 2.8440 1.7659 3.3246 1.7728 3.0050 4.0151
H8 2.1695 1.0973 3.5381 2.4817 1.7791 3.8169 1.7728 4.0151 4.3189
H9 2.1776 3.0163 1.1071 2.8440 3.3246 1.7659 3.0050 4.0151 1.7728
H10 2.1695 3.5381 1.0973 2.4817 3.8169 1.7791 4.0151 4.3189 1.7728
Maximum atom distance is 4.3189Å between atoms H8 and H10.
picture of Isopropyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 120.755
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.431 C1 C2 H7 111.926
C1 C2 H8 111.879 C1 C3 H6 111.431
C1 C3 H9 111.926 C1 C3 H10 111.879
C2 C1 H4 118.767 C3 C1 H4 118.767
H5 C2 H7 106.202 H5 C2 H8 108.041
H6 C3 H9 106.202 H6 C3 H10 108.041
H7 C2 H8 107.064 H9 C3 H10 107.064

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