1-(Trichloromethyl)-2,3,4,9-Tetrahydro-1H-β-Carboline

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Formula C12H11Cl3N2
IUPAC Name (1r)-1-(trichloromethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ium-9a-ylium
Molecular Mass 289.588 g·mol−1
Heat of Formation 79.6 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 295.04 Å 3
Surface Area 259.42 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey DPPAKKMPHBZNQA-LLVKDONJSA-N
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Elements H C N Cl