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ID: BBC/411 CAS:15282-88-9 Supplier:Aronis SMILES:C(=C(\[O-])C)\C(=O)C.C(=C(\[O-])C)\C(=O)C.[Pb+2] FORMULA: C10H14O4Pb
MASS: 405.4158
EXACT MASS: 406.0658609
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 7.4376 0.0000
C 3 1.3313 6.8562 0.0000
C 4 6.8267 1.3428 6.4705 0.0000
C 5 1.3189 6.8962 2.3001 6.0919 0.0000
C 6 6.9196 1.3235 6.1420 2.3137 6.6038 0.0000
O 7 2.3107 5.5443 1.3334 5.2409 2.6712 4.8087
O 8 5.5158 2.3085 5.2325 1.3255 4.7675 2.6713
O 9 2.2932 5.5896 2.6533 4.7587 1.3334 5.3834
O 10 5.6281 2.2918 4.8177 2.6618 5.4039 1.3255
Pb 11 3.5574 3.8992 3.0016 3.4802 3.2367 3.3951
C 12 7.7130 2.3050 7.5208 1.3221 6.8199 3.5161
C 13 2.3042 7.7649 1.3308 7.5413 3.5125 6.8912
C 14 7.8727 2.3095 6.9469 3.5401 7.7091 1.3392
C 15 2.3083 7.8131 3.5252 6.8573 1.3323 7.6796
O 7 O 8 O 9 O 10 Pb 11 C 12
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O 7 0.0000
O 8 4.0635 0.0000
O 9 2.3084 3.4346 0.0000
O 10 3.4847 2.3137 4.2554 0.0000
Pb 11 1.7665 2.3037 2.1318 2.1672 0.0000
C 12 6.3610 2.2981 5.5068 3.9838 4.5982 0.0000
C 13 2.3056 6.3671 3.9841 5.5797 4.0720 8.6651
C 14 5.6384 4.0105 6.5540 2.3065 4.4728 4.6145
C 15 4.0034 5.5662 2.2999 6.5507 4.4045 7.3877
C 13 C 14 C 15
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C 13 0.0000
C 14 7.5044 0.0000
C 15 4.6125 8.8524 0.0000
ATOMIC CHARGES
C 1 0.0000000000
C 2 0.0000000000
C 3 0.0000000000
C 4 0.0000000000
C 5 0.0000000000
C 6 0.0000000000
O 7 -1.0000000000
O 8 -1.0000000000
O 9 0.0000000000
O 10 0.0000000000
Pb 11 0.0000000000
C 12 0.0000000000
C 13 0.0000000000
C 14 0.0000000000
C 15 0.0000000000
BOND ANGLES
TORSION ANGLES
7 3 1 5 0.026
13 3 1 5 179.974
8 4 2 6 0.026
12 4 2 6 179.974
9 5 1 3 0.026
15 5 1 3 179.974
10 6 2 4 0.026
14 6 2 4 179.974
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