5-(1,3-Benzodioxol-5-Ylmethyl)-10-Fluoro[1,2,4]Triazolo[1,5-C]Quinazolin-2-Amine

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Formula C17H13FN5O2
IUPAC Name 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro-3h-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-amine
Molecular Mass 338.316 g·mol−1
Heat of Formation 70.7 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 360.67 Å 3
Surface Area 325.35 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey OWLAKERMHYDWTB-UHFFFAOYSA-O
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