6-Bromo-5H-Pyrrolizin-4-Ium-5-Ylium-3-One

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Properties Simple | Detailed

Formula C7H4BrNO
IUPAC Name 6-bromo-5h-pyrrolizin-4-ium-5-ylium-3-one
Molecular Mass 198.017 g·mol−1
Heat of Formation 135.7 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 170.53 Å 3
Surface Area 172.21 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry Cs
InChIKey GLQGAHSKJPNKAW-UHFFFAOYSA-N
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Elements H C Br O N