3-[2-[(S)-(4-Cyanophenyl)-Hydroxy-(3-Methylimidazol-1-Ium-4-Id-4-Yl)Methyl]-5-Nitro-Benzofuran-7-Yl]Benzonitrile

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Properties Simple | Detailed

Formula C27H18N5O4
IUPAC Name 3-[2-[(s)-(4-cyanophenyl)-hydroxy-(3-methylimidazol-1-ium-4-id-4-yl)methyl]-5-nitro-benzofuran-7-yl]benzonitrile
Molecular Mass 476.463 g·mol−1
Heat of Formation 420.4 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 546.2 Å 3
Surface Area 438.94 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 1.33 ± eV
Point Group Symmetry C1
InChIKey MJPDYBDIVBEUDJ-MHZLTWQESA-N
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