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Geometry for CH3CH(NH2)CH3 (2-Propanamine) 1A' CS

1910171554
InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 INChIKey=JJWLVOIRVHMVIS-UHFFFAOYSA-N

MP2=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3676 0.0000   -0.3675 -0.0082 0.0000
N2 -1.3847 -0.1107 0.0000   0.1107 0.0025 -1.3847
H3 0.0680 1.4652 0.0000   -1.4648 -0.0326 0.0680
C4 0.6861 -0.1460 1.2545   0.1739 -1.2510 0.6861
C5 0.6861 -0.1460 -1.2545   0.1181 1.2575 0.6861
H6 -1.8700 0.2612 -0.8096   -0.2791 0.8036 -1.8700
H7 -1.8700 0.2612 0.8096   -0.2431 -0.8152 -1.8700
H8 0.6493 -1.2334 1.2724   1.2614 -1.2447 0.6493
H9 0.6493 -1.2334 -1.2724   1.2048 1.2995 0.6493
H10 1.7258 0.1745 1.2879   -0.1458 -1.2915 1.7258
H11 1.7258 0.1745 -1.2879   -0.2030 1.2837 1.7258
H12 0.1908 0.2262 2.1509   -0.1784 -2.1554 0.1908
H13 0.1908 0.2262 -2.1509   -0.2740 2.1454 0.1908
Atom - Atom Distances (Å)
  C1 N2 H3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.4649 1.0997 1.5193 1.5193 2.0405 2.0405 2.1457 2.1457 2.1620 2.1620 2.1640 2.1640
N2 1.4649 2.1433 2.4214 2.4214 1.0145 1.0145 2.6489 2.6489 3.3786 3.3786 2.6874 2.6874
H3 1.0997 2.1433 2.1335 2.1335 2.4209 2.4209 3.0396 3.0396 2.4643 2.4643 2.4853 2.4853
C4 1.5193 2.4214 2.1335 2.5091 3.3105 2.6262 1.0882 2.7513 1.0885 2.7655 1.0897 3.4614
C5 1.5193 2.4214 2.1335 2.5091 2.6262 3.3105 2.7513 1.0882 2.7655 1.0885 3.4614 1.0897
H6 2.0405 1.0145 2.4209 3.3105 2.6262 1.6191 3.5938 2.9656 4.1637 3.6284 3.6072 2.4591
H7 2.0405 1.0145 2.4209 2.6262 3.3105 1.6191 2.9656 3.5938 3.6284 4.1637 2.4591 3.6072
H8 2.1457 2.6489 3.0396 1.0882 2.7513 3.5938 2.9656 2.5449 1.7723 3.1139 1.7642 3.7497
H9 2.1457 2.6489 3.0396 2.7513 1.0882 2.9656 3.5938 2.5449 3.1139 1.7723 3.7497 1.7642
H10 2.1620 3.3786 2.4643 1.0885 2.7655 4.1637 3.6284 1.7723 3.1139 2.5759 1.7617 3.7662
H11 2.1620 3.3786 2.4643 2.7655 1.0885 3.6284 4.1637 3.1139 1.7723 2.5759 3.7662 1.7617
H12 2.1640 2.6874 2.4853 1.0897 3.4614 3.6072 2.4591 1.7642 3.7497 1.7617 3.7662 4.3018
H13 2.1640 2.6874 2.4853 3.4614 1.0897 2.4591 3.6072 3.7497 1.7642 3.7662 1.7617 4.3018
Maximum atom distance is 4.3018Å between atoms H12 and H13.
picture of 2-Propanamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 C4 108.448 N2 C1 C5 108.448
C4 C1 C5 111.324
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H6 109.418 C1 N2 H7 109.418
C1 C4 H8 109.640 C1 C4 H10 110.924
C1 C4 H12 111.010 C1 C5 H9 109.640
C1 C5 H11 110.924 C1 C5 H13 111.010
N2 C1 H3 112.600 H3 C1 C4 108.028
H3 C1 C5 108.028 H6 N2 H7 105.877
H8 C4 H10 109.026 H8 C4 H12 108.209
H9 C5 H11 109.026 H9 C5 H13 108.209
H10 C4 H12 107.960 H11 C5 H13 107.960

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