8-Bromo-2-[(4-Methyl-1-Piperazinyl)Methyl][1]Benzofuro[3,2-D]Pyrimidin-4(1H)-One

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Formula C16H17BrN4O2+
IUPAC Name 8-bromo-2-[(4-methylpiperazin-1-yl)methyl]benzofuro[3,2-d]pyrimidine-3,5-diium-4-one
Molecular Mass 377.236 g·mol−1
Heat of Formation 16.1 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 380.37 Å 3
Surface Area 341.77 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey OOINHKLROPYETD-UHFFFAOYSA-N
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Elements H C O Br N