Desmethylescitalopram

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Properties Simple | Detailed

Formula C19H19FN2O
IUPAC Name (1s)-1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3h-isobenzofuran-5-carbonitrile
Molecular Mass 310.365 g·mol−1
Heat of Formation -60.9 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 380.98 Å 3
Surface Area 340.66 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(4-fluorophenyl)-1-(3-methylaminopropyl)-3h-isobenzofuran-5-carbonitrile
InChIKey PTJADDMMFYXMMG-IBGZPJMESA-N
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Elements H C N O F