(2Z)-3-[(4-Anilinophenyl)Amino]-2-(2H-Tetrazol-5-Yl)Acrylonitrile

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Properties Simple | Detailed

Formula C16H13N7
IUPAC Name (z)-3-(4-anilinoanilino)-2-(3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-5-yl)prop-2-enenitrile
Molecular Mass 303.321 g·mol−1
Heat of Formation 704.3 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 353.07 Å 3
Surface Area 334.38 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-[[4-(phenylamino)phenyl]amino]-2-(2h-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile
  • (z)-3-[[4-(phenylamino)phenyl]amino]-2-(2h-tetrazol-5-yl)acrylonitrile
  • (z)-3-[[4-(phenylamino)phenyl]amino]-2-(2h-tetrazol-5-yl)prop-2-enenitrile
  • 3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile
InChIKey FLPLCJJGNZGOAW-QXMHVHEDSA-N
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Elements H C N