4-Cyano-3-Methylisoquinoline

Molecule SVG Image

Properties Simple | Detailed

Formula C11H8N2
IUPAC Name 3-methylisoquinoline-4-carbonitrile
Molecular Mass 168.195 g·mol−1
Heat of Formation 294.2 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 207.13 Å 3
Surface Area 200.54 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-methyl-4-isoquinolinecarbonitrile
  • hsci1_000275
InChIKey SZWLGBJCLZDZBY-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N