3-[(Dimethylamino)Methyl]-N-[3-(1H-Tetrazol-5-Yl)Phenyl]Benzamide

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Formula C17H18N6O
IUPAC Name n-[3-(2,3-diaza-1-azonia-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]-3-[(dimethylamino)methyl]benzamide
Molecular Mass 322.364 g·mol−1
Heat of Formation 349.6 ± 16.7 kJ·mol−1
Dipole Moment 9.57 ± 1.08 D
Volume 384.37 Å 3
Surface Area 355.49 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey YNFKRUNLXWQDEZ-UHFFFAOYSA-N
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