(6-Chloro-3H-Pyridin-1-Ium-3-Id-2-Yl)Methyl Nitrate

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Properties Simple | Detailed

Formula C6H6ClN2O3
IUPAC Name (6-chloro-3h-pyridin-1-ium-3-id-2-yl)methyl nitrate
Molecular Mass 189.576 g·mol−1
Heat of Formation -13.5 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 192.92 Å 3
Surface Area 192.41 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey BTTHRIJUMRPJNH-UHFFFAOYSA-N
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Elements H C N O Cl