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

Listing of experimental geometry data for C3H7N (Cyclopropylamine)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.54271 0.22426 0.19331
Rotational Constants from 1096Hen/Har:700
Calculated rotational constants for C3H7N (Cyclopropylamine).

Point Group Cs

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
rCH 1.080 1 2 1969Hen/Har:700 !need more info
rNH 1.011 3 6 1969Hen/Har:700
rCC 1.520 1 4 1969Hen/Har:700
rCN 1.428 1 3 1969Hen/Har:700
aCCC 60 1 4 5 1969Hen/Har:700
aHCH 116.2 8 4 10 1969Hen/Har:700
picture of Cyclopropylamine

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 5
H-N 2
C-C 3
C-N 1

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C3H7N (Cyclopropylamine).


References
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squib reference DOI
1969Hen/Har:700 Hendricksen, D.; Harmony, M. "Microwave Spectra of Nitrogen-Containing Molecules. IV. Conformation, Dipole Moment, and Quadropole Coupling Constants of Cyclopropylamine." Journal of Chemical Physics. 51, 700-705 (1969) 10.1063/1.1672059

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