Formula |
C20H24Br2N6O2 |
IUPAC Name |
n-[2-[3,5-dibromo-4-[3-[(3-methylpurin-3-ium-5-ylium-6-yl)amino]propoxy]phenyl]ethyl]-n-methyl-acetamide |
Molecular Mass |
540.252 g·mol−1 |
Heat of Formation |
25.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.97 ± 1.08 D |
Volume |
528.73 Å 3 |
Surface Area |
445.01 Å 2 |
HOMO Energy |
-8.37 ± 0.55 eV |
LUMO Energy |
-0.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ONIZXWNHLRRDOK-UHFFFAOYSA-N |
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Elements |
H
C
O
Br
N
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