Formula |
C25H29BrN2O |
IUPAC Name |
n-allyl-6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]-n-methyl-hexan-1-amine |
Molecular Mass |
453.415 g·mol−1 |
Heat of Formation |
140.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.27 ± 1.08 D |
Volume |
526.55 Å 3 |
Surface Area |
476.03 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
2.08 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-n-methyl-n-prop-2-enyl-hexan-1-amine
- allyl-[6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]hexyl]-methyl-amine
- n-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
- n-allyl-6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]-n-methyl-hexan-1-amine
- n-allyl-6-[[1-(4-bromophenyl)-6-isoquinolyl]oxy]-n-methylhexan-1-amine
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InChIKey |
PPLTVWUUFGVURW-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
Br
O
N
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