3-(2-Methoxyethyl)-3,4,7,12-Tetrahydro-1H-[1,2,5]Triazepino[1,2-B]Phthalazine-1,5(2H)-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C15H19N3O3
IUPAC Name 3-(2-methoxyethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-dione
Molecular Mass 289.330 g·mol−1
Heat of Formation -247.6 ± 16.7 kJ·mol−1
Dipole Moment 0.93 ± 1.08 D
Volume 341.14 Å 3
Surface Area 301.79 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2h)-dione, 3,4,7,12-tetrahydro-3-(2-methoxyethyl)-
  • 3,4,7,12-tetrahydro-3-(2-methoxyethyl)-1h-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2h)-dione
  • 3-(2-methoxy-ethyl)-2,3,4,5,7,12-hexahydro-1h-(1,2,5)triazepino(1,2-b)phthalazin-1,5-dione
  • 3-(2-methoxyethyl)-2,4,7,12-tetrahydro-[1,2,5]triazepino[1,2-b]phthalazine-1,5-quinone
  • mehtpd
CAS Number(s)
  • 81215-72-7
InChIKey YOUCJMWRMRLNEH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N