Formula |
C22H22BrN3O5 |
IUPAC Name |
[1-[bromo-(2-methoxyphenyl)methyl]-2-oxo-2-(1-piperidyl)ethylidene]-(4-nitrobenzoyl)ammonium |
Molecular Mass |
488.331 g·mol−1 |
Heat of Formation |
3098.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.39 ± 1.08 D |
Volume |
438.61 Å 3 |
Surface Area |
368.3 Å 2 |
HOMO Energy |
-9.54 ± 0.55 eV |
LUMO Energy |
-3.30 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[(z)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-yl-prop-1-en-2-yl]-4-nitro-benzamide
- n-[(z)-2-bromo-2-(2-methoxyphenyl)-1-(piperidine-1-carbonyl)vinyl]-4-nitro-benzamide
- n-[(z)-2-bromo-2-(2-methoxyphenyl)-1-[oxo-(1-piperidyl)methyl]vinyl]-4-nitrobenzamide
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InChIKey |
OQIUTYABZMBBME-VXPUYCOJSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
O
Br
N
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