(3Z)-2-Amino-4-(3,4,5-Trihydroxyphenyl)-1,3-Butadiene-1,1,3-Tricarbonitrile

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Properties Simple | Detailed

Formula C13H8N4O3
IUPAC Name (3e)-2-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile
Molecular Mass 268.228 g·mol−1
Heat of Formation 50.7 ± 16.7 kJ·mol−1
Dipole Moment 9.05 ± 1.08 D
Volume 311.64 Å 3
Surface Area 276.66 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
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InChIKey JKNOYWVMHPMBEL-QPIMQUGISA-N
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