4-Quinazolinecarbonitrile

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Properties Simple | Detailed

Formula C9H5N3
IUPAC Name quinazoline-4-carbonitrile
Molecular Mass 155.156 g·mol−1
Heat of Formation 403.3 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 180.76 Å 3
Surface Area 180.85 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry Cs
CAS Number(s)
  • 36082-71-0
InChIKey VBCVBVXRDBPFIL-UHFFFAOYSA-N
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Elements H C N