3-(2-Pyrimidinyl)-N-[3-(1H-Tetrazol-5-Yl)Phenyl]Benzamide

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Properties Simple | Detailed

Formula C18H13N7O
IUPAC Name 3-pyrimidin-2-yl-n-[3-(2h-tetrazol-5-yl)phenyl]benzamide
Molecular Mass 343.342 g·mol−1
Heat of Formation 547.7 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 383.41 Å 3
Surface Area 357.02 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey WMPLYYWUNLVUAC-UHFFFAOYSA-N
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