Accuracy
2,3-dimethyl pyrazine
624 2,3-Dimethyl pyrazine
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Geometry predicted using PM7
ΔHf: 30.1 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
2,3-Dimethyl pyrazine
H=30.11 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.34339132 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.40733303 +1 120.7593727 +1 0.0000000 +0 2 1 0
N 1.34316657 +1 120.7679770 +1 -0.0065077 +1 3 2 1
C 1.34855227 +1 118.9496718 +1 -0.0005873 +1 4 3 2
C 1.42167430 +1 120.2896671 +1 0.0040411 +1 5 4 3
C 1.48976480 +1 124.0167484 +1 179.9899352 +1 6 5 4
C 1.48969349 +1 115.7266810 +1 -179.9400418 +1 5 4 6
H 1.09356940 +1 116.5985467 +1 -179.9945630 +1 2 1 3
H 1.09366863 +1 122.5942359 +1 179.9957087 +1 3 2 4
H 1.10362961 +1 110.8731365 +1 118.9956858 +1 7 6 5
H 1.10397621 +1 110.9052810 +1 117.4865488 +1 7 6 11
H 1.09655460 +1 113.4442238 +1 121.1330160 +1 7 6 12
H 1.10374591 +1 110.9020590 +1 -59.3550959 +1 8 5 4
H 1.10390404 +1 110.8842201 +1 117.5498732 +1 8 5 14
H 1.09661544 +1 113.4313888 +1 121.1215097 +1 8 5 15