2-{4-[(4-Methyl-1-Piperazinyl)Carbonyl]Phenyl}-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C21H21N2O3+
IUPAC Name 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
Molecular Mass 349.403 g·mol−1
Heat of Formation -187.3 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 414.51 Å 3
Surface Area 363.74 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey GCCLEHACQGEQIL-UHFFFAOYSA-N
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