1-(7-Bromo-9H-β-Carbolin-1-Yl)-3-Methyl-1-Butanamine

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Properties Simple | Detailed

Formula C16H18BrN3
IUPAC Name (1s)-1-(7-bromopyrido[3,4-b]indol-9-ium-1-yl)-3-methyl-butan-1-amine
Molecular Mass 332.238 g·mol−1
Heat of Formation 194.6 ± 16.7 kJ·mol−1
Dipole Moment 1.14 ± 1.08 D
Volume 350.58 Å 3
Surface Area 306.12 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey PWUUECLZOMPMHQ-ZDUSSCGKSA-N
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Elements H C Br N