Eptapirone

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Properties Simple | Detailed

Formula C16H23N7O2++
IUPAC Name 4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-dione
Molecular Mass 345.400 g·mol−1
Heat of Formation -38.3 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 414.44 Å 3
Surface Area 375.13 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-as-triazine-3,5(2h,4h)-dione.
  • 4-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,4-triazine-3,5-quinone
  • 4-methyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2,4-triazine-3,5-dione
  • d02576
  • f 11440
  • f11440
CAS Number(s)
  • 179756-85-5
InChIKey NMYAHEULKSYAPP-UHFFFAOYSA-N
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