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

Molecule SVG Image

Properties Simple | Detailed

Formula C7H7ClN6O2
IUPAC Name 3-(2-chloroethyl)-4-oxo-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Molecular Mass 242.622 g·mol−1
Heat of Formation 52.7 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 248.15 Å 3
Surface Area 237.35 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 0.99 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl