Sclerominol

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Properties Simple | Detailed

Formula C18H14N2O3
IUPAC Name (5z)-3-benzyl-5-benzylidene-1-hydroxy-pyrazine-2,6-dione
Molecular Mass 306.315 g·mol−1
Heat of Formation 2.6 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 362.64 Å 3
Surface Area 301.15 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-5-benzyl-3-benzylidene-1-hydroxypyrazine-2,6(1h,3h)-dione
  • (5z)-1-hydroxy-3-(phenylmethyl)-5-(phenylmethylene)pyrazine-2,6-dione
  • (5z)-1-hydroxy-3-(phenylmethyl)-5-(phenylmethylidene)pyrazine-2,6-dione
  • (5z)-3-(benzyl)-5-(benzylidene)-1-hydroxy-pyrazine-2,6-quinone
  • 2,6(1h,3h)-pyrazinedione, 1-hydroxy-5-(phenylmethyl)-3-(phenylmethylene)-, (3z)-
  • 5-benzyl-3-benzylidene-1-hydroxy-3h-pyrazine-2,6-dione
CAS Number(s)
  • 500876-24-4
InChIKey IXZDGSWOKFRNJQ-PTNGSMBKSA-N
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