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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/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0218 0.5761 0.0000   0.0331 -0.5751 -0.0218
C2 -0.0218 -0.1902 1.3103   1.2972 0.2652 -0.0218
C3 -0.0218 -0.1902 -1.3103   -1.3190 0.1145 -0.0218
H4 0.3771 1.5846 0.0000   0.0911 -1.5820 0.3771
H5 -0.7970 -0.9609 1.3120   1.2545 1.0348 -0.7970
H6 -0.7970 -0.9609 -1.3120   -1.3650 0.8839 -0.7970
H7 0.9383 -0.6954 1.4788   1.4363 0.7793 0.9383
H8 -0.1988 0.4726 2.1593   2.1829 -0.3477 -0.1988
H9 0.9383 -0.6954 -1.4788   -1.5163 0.6092 0.9383
H10 -0.1988 0.4726 -2.1593   -2.1286 -0.5959 -0.1988
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5179 1.5179 1.0846 2.1644 2.1644 2.1738 2.1691 2.1738 2.1691
C2 1.5179 2.6205 2.2418 1.0932 2.8410 1.0979 1.0915 2.9926 3.5368
C3 1.5179 2.6205 2.2418 2.8410 1.0932 2.9926 3.5368 1.0979 1.0915
H4 1.0846 2.2418 2.2418 3.0951 3.0951 2.7749 2.4962 2.7749 2.4962
H5 2.1644 1.0932 2.8410 3.0951 2.6239 1.7634 1.7695 3.2970 3.8030
H6 2.1644 2.8410 1.0932 3.0951 2.6239 3.2970 3.8030 1.7634 1.7695
H7 2.1738 1.0979 2.9926 2.7749 1.7634 3.2970 1.7664 2.9575 3.9866
H8 2.1691 1.0915 3.5368 2.4962 1.7695 3.8030 1.7664 3.9866 4.3187
H9 2.1738 2.9926 1.0979 2.7749 3.2970 1.7634 2.9575 3.9866 1.7664
H10 2.1691 3.5368 1.0915 2.4962 3.8030 1.7695 3.9866 4.3187 1.7664
Maximum atom distance is 4.3187Å 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 119.362
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.933 C1 C2 H7 111.395
C1 C2 H8 111.407 C1 C3 H6 110.933
C1 C3 H9 111.395 C1 C3 H10 111.407
C2 C1 H4 117.997 C3 C1 H4 117.997
H5 C2 H7 107.182 H5 C2 H8 108.176
H6 C3 H9 107.182 H6 C3 H10 108.176
H7 C2 H8 107.562 H9 C3 H10 107.562

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