2-Bromo-N-[2-({3-[(2-Cyano-1H-Indol-5-Yl)Oxy]-2-Hydroxypropyl}Amino)-2-Methylpropyl]Acetamide

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Properties Simple | Detailed

Formula C18H23BrN4O3
IUPAC Name 2-bromo-n-[2-[[(2r)-3-(2-cyanoindol-1-ium-5-yl)oxy-2-hydroxy-propyl]amino]-2-methyl-propyl]acetamide
Molecular Mass 423.304 g·mol−1
Heat of Formation -276.1 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 464.35 Å 3
Surface Area 399.13 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey QKUSEJJABZAXFT-CQSZACIVSA-N
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Elements H C O Br N