6-[(2R)-4-(4-Benzyl-7-Chloro-1-Phthalazinyl)-2-Methyl-1-Piperazinyl]Nicotinonitrile

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Properties Simple | Detailed

Formula C26H23ClN6
IUPAC Name 6-[(1r,2r,4s)-4-(4-benzyl-7-chloro-phthalazin-1-yl)-2-methyl-piperazin-1-yl]pyridine-3-carbonitrile
Molecular Mass 454.954 g·mol−1
Heat of Formation 597.1 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 531.47 Å 3
Surface Area 445.56 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey XUZUIICAPXZZDU-GOSISDBHSA-N
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Elements H C N Cl