Formula |
C21H25BrN6O2 |
IUPAC Name |
1-(aminomethyl)-n-[3-[[6-bromo-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-ium-7-yl]amino]propyl]cyclopropanecarboxamide |
Molecular Mass |
473.366 g·mol−1 |
Heat of Formation |
67.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.97 ± 1.08 D |
Volume |
511.37 Å 3 |
Surface Area |
448.38 Å 2 |
HOMO Energy |
-8.49 ± 0.55 eV |
LUMO Energy |
2.35 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XUELBKVSGYWSKD-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
Br
O
N
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