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

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Properties Simple | Detailed

Formula C18H19Cl2N3O2
IUPAC Name 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-7h-pyrrolo[3,4-b]pyridin-5-one
Molecular Mass 380.268 g·mol−1
Heat of Formation -186.1 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 430.6 Å 3
Surface Area 351.01 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
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InChIKey LKKWOSVPEMTNNP-UHFFFAOYSA-N
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Elements H C Cl O N