2-[3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-2-Methyl-5-Oxo-5,7-Dihydro-6H-Pyrrolo[3,4-B]Pyridin-6-Yl]-N,N-Dimethylacetamide

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Formula C19H20Cl2N4O2
IUPAC Name 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7h-pyrrolo[3,4-b]pyridin-6-yl]-n,n-dimethyl-acetamide
Molecular Mass 407.294 g·mol−1
Heat of Formation -210.7 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 458.48 Å 3
Surface Area 377.68 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7h-pyrrolo[4,3-b]pyridin-6-yl]-n,n-dimethyl-acetamide
  • 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7h-pyrrolo[4,3-b]pyridin-6-yl]-n,n-dimethyl-ethanamide
  • 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-5-keto-2-methyl-7h-pyrrolo[4,3-b]pyridin-6-yl]-n,n-dimethyl-acetamide
InChIKey PECDPZCIECMGCM-UHFFFAOYSA-N
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