Formula |
C21H23Br3N2O3 |
IUPAC Name |
(e)-n-[2-[4-(3-aminopropoxy)-3,5-dibromo-phenyl]ethyl]-3-(3-bromo-4-methoxy-phenyl)prop-2-enamide |
Molecular Mass |
591.131 g·mol−1 |
Heat of Formation |
-238.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.86 ± 1.08 D |
Volume |
543.09 Å 3 |
Surface Area |
468.51 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MZLANVULBFGHHK-GQCTYLIASA-N |
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Elements |
H
C
O
Br
N
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