N-[(2R)-2-Butanyl]-1-(2-Chlorophenyl)-N-Methyl-3-Isoquinolinecarboxamide

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Formula C21H22ClN2O
IUPAC Name 1-(2-chlorophenyl)-n-methyl-n-[(1r)-1-methylpropyl]-4h-isoquinolin-2-ium-4-ide-3-carboxamide
Molecular Mass 353.865 g·mol−1
Heat of Formation 5.4 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 429.03 Å 3
Surface Area 356.02 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey RAVIZVQZGXBOQO-CQSZACIVSA-N
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Elements H C N O Cl