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
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