Aplysamine 6

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Properties Simple | Detailed

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