3-[(3-Fluoro-4-Methoxybenzyl)Amino]-6-(Trifluoromethyl)-2-Quinoxalinecarboxylic Acid

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Properties Simple | Detailed

Formula C18H13F4N3O3
IUPAC Name 3-[(3-fluoro-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
Molecular Mass 395.308 g·mol−1
Heat of Formation -1014.3 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 406.12 Å 3
Surface Area 373.2 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
InChIKey JKKOLPWDKQDVJE-UHFFFAOYSA-N
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