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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

HF/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0162 0.5458 0.0000   -0.0313 0.5449 -0.0162
C2 -0.0162 -0.2011 1.3010   1.3104 -0.1262 -0.0162
C3 -0.0162 -0.2011 -1.3010   -1.2873 -0.2754 -0.0162
H4 0.3657 1.5600 0.0000   -0.0894 1.5574 0.3657
H5 -0.7794 -0.9828 1.3072   1.3614 -0.9062 -0.7794
H6 -0.7794 -0.9828 -1.3072   -1.2487 -1.0562 -0.7794
H7 0.9484 -0.6928 1.4821   1.5194 -0.6067 0.9484
H8 -0.2060 0.4648 2.1431   2.1129 0.5869 -0.2060
H9 0.9484 -0.6928 -1.4821   -1.4400 -0.7766 0.9484
H10 -0.2060 0.4648 -2.1431   -2.1662 0.3411 -0.2060
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5002 1.5002 1.0837 2.1512 2.1512 2.1590 2.1530 2.1590 2.1530
C2 1.5002 2.6020 2.2226 1.0925 2.8277 1.0978 1.0902 2.9863 3.5130
C3 1.5002 2.6020 2.2226 2.8277 1.0925 2.9863 3.5130 1.0978 1.0902
H4 1.0837 2.2226 2.2226 3.0799 3.0799 2.7588 2.4737 2.7588 2.4737
H5 2.1512 1.0925 2.8277 3.0799 2.6143 1.7607 1.7672 3.2939 3.7854
H6 2.1512 2.8277 1.0925 3.0799 2.6143 3.2939 3.7854 1.7607 1.7672
H7 2.1590 1.0978 2.9863 2.7588 1.7607 3.2939 1.7634 2.9643 3.9768
H8 2.1530 1.0902 3.5130 2.4737 1.7672 3.7854 1.7634 3.9768 4.2862
H9 2.1590 2.9863 1.0978 2.7588 3.2939 1.7607 2.9643 3.9768 1.7634
H10 2.1530 3.5130 1.0902 2.4737 3.7854 1.7672 3.9768 4.2862 1.7634
Maximum atom distance is 4.2862Å 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 120.281
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.170 C1 C2 H7 111.475
C1 C2 H8 111.456 C1 C3 H6 111.170
C1 C3 H9 111.475 C1 C3 H10 111.456
C2 C1 H4 117.770 C3 C1 H4 117.770
H5 C2 H7 107.003 H5 C2 H8 108.124
H6 C3 H9 107.003 H6 C3 H10 108.124
H7 C2 H8 107.403 H9 C3 H10 107.403

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