(1R,3R)-1-(2,4-Dichlorophenyl)-2,3,4,9-Tetrahydro-1H-β-Carboline-3-Carboxylic Acid

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Formula C18H14Cl2N2O2
IUPAC Name (1r,3r)-1-(2,4-dichlorophenyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ium-9a-ylium-3-carboxylic acid
Molecular Mass 361.222 g·mol−1
Heat of Formation -150.2 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 386.66 Å 3
Surface Area 331.81 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1h-$b-carboline-3-carboxylic acid
  • (1r,3r)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1h-pyrido[5,4-b]indole-3-carboxylic acid
InChIKey ZJDRIKAAFJMYGX-HZPDHXFCSA-N
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Elements H C N O Cl