3-(Aminomethyl)-4-(2,4-Dichlorophenyl)-6-(2-Methoxyphenyl)-2-Methyl-5,6-Dihydro-7H-Pyrrolo[3,4-B]Pyridin-7-One

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Properties Simple | Detailed

Formula C22H19Cl2N3O2
IUPAC Name 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5h-pyrrolo[3,4-b]pyridin-7-one
Molecular Mass 428.311 g·mol−1
Heat of Formation -43.0 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 473.6 Å 3
Surface Area 387.33 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
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InChIKey YFKUZVBMNGNFRI-UHFFFAOYSA-N
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Elements H C Cl O N