(2S,4R)-4-[(7-Bromo-1-Isoquinolyl)Oxy]Pyrrolidine-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H13BrN2O3
IUPAC Name (2s,4r)-4-[(7-bromo-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid
Molecular Mass 337.169 g·mol−1
Heat of Formation -321.9 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 327.9 Å 3
Surface Area 300.71 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
InChIKey AXTJAJXOHLUNEA-PWSUYJOCSA-N
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Elements H C O Br N