N-[2-[3,5-Dibromo-4-[3-[(3-Methylpurine-1,7,9-Triium-6-Yl)Amino]Propoxy]Phenyl]Ethyl]-N-Methyl-Acetamide

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Formula C20H24Br2N6O2
IUPAC Name n-[2-[3,5-dibromo-4-[3-[(3-methylpurine-1,7,9-triium-6-yl)amino]propoxy]phenyl]ethyl]-n-methyl-acetamide
Molecular Mass 540.252 g·mol−1
Heat of Formation 28.0 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 527.96 Å 3
Surface Area 446.95 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey KIHNVJJAJUYPMM-UHFFFAOYSA-O
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Elements H C O Br N