3-(2-Chloroethyl)-4-Oxo-3,4-Dihydropyrazolo[5,1-D][1,2,3,5]Tetrazine-8-Carboxamide

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Properties Simple | Detailed

Formula C7H13ClN6O2
IUPAC Name 3-(2-chloroethyl)-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Molecular Mass 248.670 g·mol−1
Heat of Formation 52.8 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 245.87 Å 3
Surface Area 237.0 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chloroethyl)-3,4-dihydro-4-oxopyrazolo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
  • 3-(2-chloroethyl)-4-keto-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 3-(2-chloroethyl)-4-oxo-8-pyrazolo[5,1-d][1,2,3,5]tetrazinecarboxamide
  • 3-(2-chloroethyl)-4-oxo-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • c-8412843
  • cedopt
  • pyraoncozine
  • pyrazolo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-
CAS Number(s)
  • 90521-23-6
InChIKey GCOAJPQTYKOBSK-UHFFFAOYSA-N
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Elements H C N O Cl