{Amino[3-({6-[3-(Ammoniomethyl)Phenoxy]-3,5-Difluoro-4-Methyl-2-Pyridinyl}Oxy)Phenyl]Methylene}Ammonium

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Formula C20H20F2N4O2++
IUPAC Name [3-[[6-[3-[amino(azaniumylidene)methyl]phenoxy]-3,5-difluoro-4-methyl-2-pyridyl]oxy]phenyl]methylammonium
Molecular Mass 386.395 g·mol−1
Heat of Formation 2766.7 ± 16.7 kJ·mol−1
Dipole Moment 17.55 ± 1.08 D
Volume 378.92 Å 3
Surface Area 342.66 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -2.43 ± eV
Point Group Symmetry C1
Synonyms
  • [3-[6-[3-(amino-azaniumylidene-methyl)phenoxy]-3,5-difluoro-4-methyl-pyridin-2-yl]oxyphenyl]methylazanium
  • [3-[[6-[3-(amino-azaniumylidene-methyl)phenoxy]-3,5-difluoro-4-methyl-2-pyridyl]oxy]phenyl]methylammonium
  • [3-[[6-[3-(amino-iminio-methyl)phenoxy]-3,5-difluoro-4-methyl-2-pyridyl]oxy]benzyl]ammonium
  • [3-[[6-[3-(amino-iminiomethyl)phenoxy]-3,5-difluoro-4-methyl-2-pyridyl]oxy]phenyl]methylammonium
InChIKey GJHKKJHVSXUANP-UHFFFAOYSA-P
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