5-(2-Amino-1-Hydroxyethyl)-1,3-Dibromo-2-{3-[(Cyanocarbonyl)Amino]Propoxy}Benzene

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Properties Simple | Detailed

Formula C13H15Br2N3O3
IUPAC Name n-[3-[4-[(1r)-2-amino-1-hydroxy-ethyl]-2,6-dibromo-phenoxy]propyl]-1-cyano-formamide
Molecular Mass 421.085 g·mol−1
Heat of Formation -258.3 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 380.97 Å 3
Surface Area 331.05 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey BKBCHPBOYFBMRI-NSHDSACASA-N
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Elements H C O Br N