6-Bromo-1-Ethyl-4-Oxo-7-Piperazin-1-Yl-5,8-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H27BrN3O3+
IUPAC Name 6-bromo-1-ethyl-4-oxo-7-piperazin-1-yl-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 389.308 g·mol−1
Heat of Formation -331.0 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 386.65 Å 3
Surface Area 331.42 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey YHBBZPBGVVAEPI-UHFFFAOYSA-O
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Elements H C O Br N