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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-).

Point Group C1

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCC 1.330 10 11 1987Kuchitsu(II/15)
rCC 1.501 6 10 1987Kuchitsu(II/15)
rCO 1.353 5 10 1987Kuchitsu(II/15) C has two C bonds
rCO 1.416 1 5 1987Kuchitsu(II/15) methyl C
rCH 1.087 11 12 1987Kuchitsu(II/15) C has =
aCCC 123.9 6 10 11 1987Kuchitsu(II/15)
aCCO 125.8 5 10 11 1987Kuchitsu(II/15)
aCOC 116 1 5 10 1987Kuchitsu(II/15)
aHCC 121.4 10 11 12 1987Kuchitsu(II/15)
aHCC 112.1 7 6 10 1987Kuchitsu(II/15)
aHCO 109.7 2 1 5 1987Kuchitsu(II/15)
d 11.9 1 5 10 11 1987Kuchitsu(II/15) torsion around =CO bond
picture of 1-Propene, 2-methoxy-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 8
C-C 1
C=C 1
C-O 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-).


References
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squib reference DOI
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

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