(1S,4R)-1,2-Dimethyl-1,2,3,4-Tetrahydro-4,6,7-Isoquinolinetriol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15NO3
IUPAC Name (1s,4r)-1,2-dimethyl-3,4-dihydro-1h-isoquinoline-4,6,7-triol
Molecular Mass 209.242 g·mol−1
Heat of Formation -465.7 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 250.0 Å 3
Surface Area 228.71 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 1
  • 2
  • 3
  • 4
  • 6
  • 7
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • q
  • r
  • s
  • t
  • u
  • y
InChIKey GJZCADDNXVAAME-KGFZYKRKSA-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