2-Amino-1,3(2H,4H)-Isoquinolinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C9H8N2O2
IUPAC Name 2-amino-4h-isoquinoline-1,3-dione
Molecular Mass 176.172 g·mol−1
Heat of Formation -142.9 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 196.74 Å 3
Surface Area 192.11 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3(2h,4h)-isoquinolinedione, 2-amino-
  • 2-amino-1,2,3,4-tetrahydroisoquinoline-1,3-dione
  • 2-amino-4h-isoquinoline-1,3-dione
  • 2-amino-4h-isoquinoline-1,3-quinone
  • 2-aminoisoquinoline-1,3(2h,4h)-dione
  • ak-830/13217043
  • athqd
  • oprea1_224479
CAS Number(s)
  • 22177-46-4
InChIKey LBNIVJQTSUZBGG-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