N-(Diaminomethylene)-5-(1-Methyl-1H-Pyrazol-4-Yl)-2-Naphthamide

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Properties Simple | Detailed

Formula C16H15N5O
IUPAC Name n-(diaminomethylene)-5-(1-methylpyrazol-1-ium-2-id-4-yl)naphthalene-2-carboxamide
Molecular Mass 293.323 g·mol−1
Heat of Formation 227.8 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 343.36 Å 3
Surface Area 319.51 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • n-(diaminomethylene)-5-(1-methyl-4-pyrazolyl)-2-naphthalenecarboxamide
  • n-(diaminomethylene)-5-(1-methylpyrazol-4-yl)-2-naphthamide
  • n-(diaminomethylene)-5-(1-methylpyrazol-4-yl)naphthalene-2-carboxamide
  • n-(diaminomethylidene)-5-(1-methylpyrazol-4-yl)naphthalene-2-carboxamide
InChIKey WVROWPPEIMRGAB-UHFFFAOYSA-N
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