6-Propyltetrazolo(1,5-C)Pyrimidine-5,7(6H,8H)-Dione

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Properties Simple | Detailed

Formula C7H9N5O2
IUPAC Name 3-propyl-3,7,8-triaza-1-azonia-9-azanidabicyclo[4.3.0]nona-1(6),7-diene-2,4-dione
Molecular Mass 195.179 g·mol−1
Heat of Formation -32.1 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 217.35 Å 3
Surface Area 208.65 Å 2
HOMO Energy -11.14 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 6-propyl-8h-[1,2,3,4]tetrazolo[5,1-f]pyrimidine-5,7-dione
  • 6-propyl-8h-tetrazolo[5,1-f]pyrimidine-5,7-dione
  • 6-propyl-8h-tetrazolo[5,1-f]pyrimidine-5,7-quinone
  • tetrazolo(1,5-c)pyrimidine-5,7(6h,8h)-dione, 6-propyl-
  • tetrazolo(5,4-a)-6-propyluracil
  • vmi 510
  • vmi-510
CAS Number(s)
  • 34834-63-4
InChIKey QWPXANLOTDICAG-UHFFFAOYSA-N
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