Buspirone

Molecule SVG Image

Properties Simple | Detailed

Formula C21H31N5O2
IUPAC Name 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular Mass 385.503 g·mol−1
Heat of Formation -294.3 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 480.85 Å 3
Surface Area 418.93 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(4-(4-(2-pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
  • 8-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
  • 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-quinone
  • 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione
  • 8-azaspiro(4,5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)piperizinyl)butyl)-
  • 8-azaspiro(4.5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
  • 8-azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
  • ansial
  • bas 00928841
  • biomol-nt_000108
  • bpbio1_000547
  • bpbio1_001403
  • buspirone-mdts
  • tocris-0962
CAS Number(s)
  • 36505-84-7
InChIKey QWCRAEMEVRGPNT-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N