2-Butyl-5-{[(~11~C)Methyloxy]Methyl}-6-(1-Oxido-2-Pyridinyl)-3-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-3H-Imidazo[4,5-B]Pyridine

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Properties Simple | Detailed

Formula C26H25N8O2+
IUPAC Name [2-buta-1,3-diynyl-3-[[4-[1-(hydrazinomethyl)vinyl]phenyl]methyl]-6-(1-hydroxypiperidin-1-ium-2-yl)imidazo[4,5-b]pyridine-1,4-diium-5-ylidene]methanone; molecular nitrogen
Molecular Mass 481.529 g·mol−1
Heat of Formation 617.4 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 653.03 Å 3
Surface Area 540.59 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butyl-5-[11c]methoxymethyl-6-(1-oxopyridin-2-yl)-3-[[2'-(1h-tetrazol-5-yl)biphenyl-4-yl]methyl]-3h-imidazo[4,5-b]pyridine
  • [11c]kr31173
InChIKey KTIHPEHEYAUWHK-JVVVGQRLSA-N
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