Formula |
C19H18FNO4 |
IUPAC Name |
ethyl (e)-6-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2,4-dioxo-hex-5-enoate |
Molecular Mass |
343.349 g·mol−1 |
Heat of Formation |
-578.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.03 ± 1.08 D |
Volume |
407.94 Å 3 |
Surface Area |
374.66 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 5-hexenoic acid, 6-[1-[(4-fluorophenyl)methyl]-1h-pyrrol-2-yl]-2,4-dioxo-, ethyl ester, (5e)-
- rds 1643
|
InChIKey |
JYAXIESQUNGIMN-MDZDMXLPSA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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