2-(4-Aza-1-Azonia-2-Azanidacyclopenta-3,5-Dien-3-Ylsulfanyl)-3-Nitro-Pyridine

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Properties Simple | Detailed

Formula C7H5N5O2S
IUPAC Name 2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-3-ylsulfanyl)-3-nitro-pyridine
Molecular Mass 223.212 g·mol−1
Heat of Formation 383.9 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 224.7 Å 3
Surface Area 212.64 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
InChIKey DQCXMHZXYLHBAH-UHFFFAOYSA-N
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