7-[3-[4-(P-Chlorobenzyl)-1-Piperazinyl]Propoxy]-3,4-Dimethylcoumarin

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Properties Simple | Detailed

Formula C25H29ClN2O3
IUPAC Name 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one
Molecular Mass 440.962 g·mol−1
Heat of Formation -304.4 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 517.4 Å 3
Surface Area 467.57 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 7-(3-(4-(p-chlorobenzyl)-1-piperazinyl)propoxy)-3,4-dimethylcoumarin
  • 7-[3-[4-(4-chlorobenzyl)piperazin-1-yl]propoxy]-3,4-dimethyl-coumarin
  • 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3,4-dimethyl-2-chromenone
  • 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one
CAS Number(s)
  • 39577-19-0
InChIKey USCSJAIWXWYTEH-UHFFFAOYSA-N
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Elements H C N O Cl