1-[(2S)-2-Butanyl]-N-[(4,6-Dimethyl-2-Oxo-1,2-Dihydro-3-Pyridinyl)Methyl]-3-Methyl-6-[6-(1-Piperazinyl)-3-Pyridinyl]-1H-Indole-4-Carboxamide

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Properties Simple | Detailed

Formula C31H38N6O2+
IUPAC Name n-[(4,6-dimethyl-2-oxo-3-pyridyl)methyl]-3-methyl-1-[(1s)-1-methylpropyl]-6-(6-piperazin-1-yl-3-pyridyl)indol-1-ium-4-carboxamide
Molecular Mass 526.672 g·mol−1
Heat of Formation -141.0 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 652.93 Å 3
Surface Area 534.15 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
InChIKey FKSFKBQGSFSOSM-QFIPXVFZSA-N
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