N-[(2R)-2-Butanyl]-1-(2-Chlorophenyl)-N-(~11~C)Methyl-3-Isoquinolinecarboxamide

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Properties Simple | Detailed

Formula C21H21ClN2O
IUPAC Name 1-(2-chlorophenyl)-n-methyl-n-[(1r)-1-methylpropyl]isoquinoline-3-carboxamide
Molecular Mass 352.857 g·mol−1
Heat of Formation 8.7 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 426.93 Å 3
Surface Area 356.22 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey RAVIZVQZGXBOQO-NIQXDKTISA-N
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Elements H C N O Cl