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Geometry for C3H10N2 (1,2-Diaminopropane) 1A C1

1910171554
InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 INChIKey=AOHJOMMDDJHIJH-UHFFFAOYSA-N

PBEPBE_cp/3-21G


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
N1 0.4296 1.3921 -0.2098
H2 -0.4277 1.8699 0.1257
H3 1.2507 1.9525 0.0832
N4 -2.0520 -0.1465 0.0132
H5 -2.1574 0.7146 -0.5464
H6 -2.2448 0.0437 1.0109
C7 -0.7212 -0.7641 -0.1956
H8 -0.7255 -1.7793 0.2446
H9 -0.5658 -0.8528 -1.2855
C10 1.8044 -0.6391 -0.0554
H11 1.8350 -1.6937 0.2714
H12 1.8767 -0.5908 -1.1556
H13 2.6770 -0.1161 0.3775
C14 0.4873 0.0252 0.3770
H15 0.4160 0.0003 1.4942
Atom - Atom Distances (Å)
  N1 H2 H3 N4 H5 H6 C7 H8 H9 C10 H11 H12 H13 C14 H15
N1 1.0372 1.0363 2.9284 2.6954 3.2343 2.4442 3.4056 2.6810 2.4576 3.4248 2.6307 2.7696 1.4887 2.2003
H2 1.0372 1.6810 2.5917 2.1860 2.7240 2.6697 3.6632 3.0698 3.3631 4.2238 3.6065 3.6942 2.0744 2.4658
H3 1.0363 1.6810 3.9139 3.6802 4.0893 3.3684 4.2257 3.6114 2.6536 3.6975 2.8973 2.5298 2.0937 2.5493
N4 2.9284 2.5917 3.9139 1.0323 1.0338 1.4819 2.1164 2.0962 3.8884 4.1916 4.1229 4.7432 2.5709 2.8821
H5 2.6954 2.1860 3.6802 1.0323 1.6979 2.0910 2.9825 2.3529 4.2155 4.7337 4.2836 4.9916 2.8849 3.3611
H6 3.2343 2.7240 4.0893 1.0338 1.6979 2.1047 2.4938 2.9826 4.2426 4.4956 4.6992 4.9650 2.8047 2.7047
C7 2.4442 2.6697 3.3684 1.4819 2.0910 2.1047 1.1065 1.1044 2.5326 2.7598 2.7750 3.5066 1.5528 2.1756
H8 3.4056 3.6632 4.2257 2.1164 2.9825 2.4938 1.1065 1.7958 2.7911 2.5620 3.1850 3.7896 2.1781 2.4559
H9 2.6810 3.0698 3.6114 2.0962 2.3529 2.9826 1.1044 1.7958 2.6790 2.9824 2.4600 3.7181 2.1549 3.0689
C10 2.4576 3.3631 2.6536 3.8884 4.2155 4.2426 2.5326 2.7911 2.6790 1.1045 1.1037 1.1056 1.5372 2.1766
H11 3.4248 4.2238 3.6975 4.1916 4.7337 4.4956 2.7598 2.5620 2.9824 1.1045 1.8040 1.7914 2.1868 2.5255
H12 2.6307 3.6065 2.8973 4.1229 4.2836 4.6992 2.7750 3.1850 2.4600 1.1037 1.8040 1.7934 2.1584 3.0829
H13 2.7696 3.6942 2.5298 4.7432 4.9916 4.9650 3.5066 3.7896 3.7181 1.1056 1.7914 1.7934 2.1943 2.5244
C14 1.4887 2.0744 2.0937 2.5709 2.8849 2.8047 1.5528 2.1781 2.1549 1.5372 2.1868 2.1584 2.1943 1.1198
H15 2.2003 2.4658 2.5493 2.8821 3.3611 2.7047 2.1756 2.4559 3.0689 2.1766 2.5255 3.0829 2.5244 1.1198
Maximum atom distance is 4.9916Å between atoms H5 and H13.
picture of 1,2-Diaminopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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