[3-(3,4-Dichlorophenyl)-1,2,3,4-Oxatriazol-3-Ium-5-Yl]Azanide

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Properties Simple | Detailed

Formula C7H4Cl2N4O
IUPAC Name 3-(3,4-dichlorophenyl)-1-oxa-2-aza-3-azonia-4-azanidacyclopent-2-en-5-imine
Molecular Mass 231.039 g·mol−1
Heat of Formation 389.6 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 225.06 Å 3
Surface Area 218.94 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry Cs
InChIKey ZXNZYANFIUGVTK-UHFFFAOYSA-N
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Elements H C N O Cl