(5E)-5-(1,2-Dihydro-5H-Tetrazol-5-Ylidene)-2-(2-Propoxyphenyl)-4(5H)-Pyrimidinone

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Properties Simple | Detailed

Formula C14H14N6O2
IUPAC Name (5e)-2-(2-propoxyphenyl)-5-(tetrazole-1,2-diium-5-ylidene)pyrimidin-4-one
Molecular Mass 298.300 g·mol−1
Heat of Formation 356.5 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 341.58 Å 3
Surface Area 312.43 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-5-(1,2-dihydro-1,2,3,4-tetrazol-5-ylidene)-2-(2-propoxyphenyl)pyrimidin-4-one
  • (5e)-5-(1,2-dihydrotetrazol-5-ylidene)-2-(2-propoxyphenyl)-4-pyrimidinone
  • (5e)-5-(1,2-dihydrotetrazol-5-ylidene)-2-(2-propoxyphenyl)pyrimidin-4-one
InChIKey ZICYIHXXBNOWBJ-UHFFFAOYSA-N
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