4-Isoquinolinecarbonitrile

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Properties Simple | Detailed

Formula C10H6N2
IUPAC Name isoquinoline-4-carbonitrile
Molecular Mass 154.168 g·mol−1
Heat of Formation 338.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 186.05 Å 3
Surface Area 184.21 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry Cs
CAS Number(s)
  • 34846-65-6
InChIKey NPDZTCFGRSYTPF-UHFFFAOYSA-N
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Elements H C N