1-[2-(3,4-Dihydro-1H-Isochromen-1-Yl)Ethyl]-4-(4-Fluorophenyl)Piperazine

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Properties Simple | Detailed

Formula C21H25FN2O
IUPAC Name 1-(4-fluorophenyl)-4-[2-[(1s)-isochroman-1-yl]ethyl]piperazine
Molecular Mass 340.434 g·mol−1
Heat of Formation -159.0 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 418.14 Å 3
Surface Area 352.92 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
InChIKey UKOCGOXTVCIACM-NRFANRHFSA-N
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