5(4H)-Oxazolone, 4-((4-(Dimethylamino)-3-Nitrophenyl)Methylene)-2-Phenyl-

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Properties Simple | Detailed

Formula C18H16N3O4
IUPAC Name 4-[[4-(dimethylamino)-3-nitro-phenyl]methyl]-2-phenyl-oxazol-3-ium-5-one
Molecular Mass 338.337 g·mol−1
Heat of Formation 70.6 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 382.06 Å 3
Surface Area 342.47 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4e)-4-(4-dimethylamino-3-nitro-benzylidene)-2-phenyl-oxazol-5-one
  • (4e)-4-[(4-dimethylamino-3-nitro-phenyl)methylene]-2-phenyl-oxazol-5-one
  • (4e)-4-[(4-dimethylamino-3-nitro-phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
  • (4e)-4-[(4-dimethylamino-3-nitrophenyl)methylene]-2-phenyl-5-oxazolone
  • (4e)-4-[(4-dimethylamino-3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
  • 4-(4'-dimethylamino-3'-nitro)benzylidene-2-phenyloxazolin-5-one
  • dmanbpo
CAS Number(s)
  • 59935-38-5
InChIKey HMLOUVRIWZZLLM-GXDHUFHOSA-N
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