Accuracy
4-methyl pyridine
505 4-Methyl pyridine
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Geometry predicted using PM7
ΔHf: 24.8 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
4-Methyl pyridine
H=24.80 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.34607047 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40012944 +1 122.7451381 +1 0.0000000 +0 2 1 0
C 1.39651123 +1 118.7325790 +1 -0.0352984 +1 3 2 1
C 1.39845514 +1 118.7464599 +1 0.0080028 +1 4 3 2
C 1.39851451 +1 118.7079059 +1 -0.0185439 +1 5 4 3
C 1.48820577 +1 121.1025807 +1 -179.9777472 +1 4 3 5
H 1.08498087 +1 120.2863628 +1 -179.9850035 +1 3 2 4
H 1.08490564 +1 120.7886387 +1 179.9918951 +1 5 4 6
H 1.09627389 +1 121.5659183 +1 179.9779817 +1 6 5 4
H 1.10134184 +1 111.3128553 +1 119.9026159 +1 7 4 3
H 1.10132434 +1 111.3443711 +1 119.2850423 +1 7 4 11
H 1.09888486 +1 112.9536816 +1 120.3660720 +1 7 4 12
H 1.09626316 +1 115.6689304 +1 179.9873961 +1 2 1 3