(4-Amino-1,2,5-Oxadiazol-3-Yl)[3-(1H-Benzimidazol-2-Ylmethoxy)Phenyl]Methanone

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Properties Simple | Detailed

Formula C17H13N5O3
IUPAC Name (4-amino-1-oxa-2,5-diazanidacyclopent-3-en-3-yl)-[3-(benzimidazol-1-ium-3a-ylium-2-ylmethoxy)phenyl]methanone
Molecular Mass 335.317 g·mol−1
Heat of Formation 252.5 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 368.44 Å 3
Surface Area 343.69 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey BVOFVPANMGREFZ-UHFFFAOYSA-N
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