2-{[5-(1,3-Benzodioxol-5-Ylmethyl)-8-Fluoro-2-Imino-2,3-Dihydro[1,2,4]Triazolo[1,5-C]Quinazolin-10-Yl]Amino}Ethanol

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Formula C19H28FN6O3+
IUPAC Name 2-[[2-amino-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino]ethanol
Molecular Mass 407.462 g·mol−1
Heat of Formation -111.5 ± 16.7 kJ·mol−1
Dipole Moment 0.65 ± 1.08 D
Volume 430.34 Å 3
Surface Area 382.12 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey VTYBTDCJZWSDTA-UHFFFAOYSA-N
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