7-{3-[3-Methoxy-4-(1-Piperazinylmethyl)Phenoxy]-1-Propyn-1-Yl}Isoquinoline

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Formula C24H27N3O2++
IUPAC Name ethylene; n'-[[4-[3-(4h-isoquinolin-2-ium-4-id-7-yl)prop-2-ynoxy]-2-methoxy-phenyl]methyl]ethane-1,2-diamine
Molecular Mass 389.490 g·mol−1
Heat of Formation 251.9 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 506.28 Å 3
Surface Area 455.3 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey SSBLXEABMBMHKV-UHFFFAOYSA-P
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