7-Methoxy-8-[1-(Methylsulfonyl)-1H-Pyrazol-4-Yl]-2-Naphthalenecarboximidamide

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Properties Simple | Detailed

Formula C16H16N4O3S
IUPAC Name 7-methoxy-8-(2-methylsulfonyl-3h-pyrazol-2-ium-3-ylium-4-yl)naphthalene-2-carboxamidine
Molecular Mass 344.388 g·mol−1
Heat of Formation -90.2 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 380.89 Å 3
Surface Area 341.78 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methoxy-8-(1-methylsulfonyl-4-pyrazolyl)-2-naphthalenecarboxamidine
  • 7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboxamidine
  • 7-methoxy-8-(1-methylsulfonylpyrazol-4-yl)naphthalene-2-carboximidamide
  • 7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide
  • 8-(1-mesylpyrazol-4-yl)-7-methoxy-naphthalene-2-carboxamidine
  • ui3
InChIKey KQUXAFOLFXHVQN-UHFFFAOYSA-N
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