4-(4-Fluorobenzyl)-2-[1-(2-Phenylethyl)-4-Azepanyl]-1(2H)-Phthalazinone

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Properties Simple | Detailed

Formula C29H32FN3O
IUPAC Name 4-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one
Molecular Mass 457.582 g·mol−1
Heat of Formation 8.3 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 569.32 Å 3
Surface Area 441.62 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey HQFSNUYUXXPVKL-RUZDIDTESA-N
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