N-[2,6-Difluoro-3-(1H-1,2,4-Triazol-5-Yl)Benzyl]-2-Indanamine

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Properties Simple | Detailed

Formula C18H16F2N4
IUPAC Name n-[[3-(4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-yl)-2,6-difluoro-phenyl]methyl]indan-2-amine
Molecular Mass 326.343 g·mol−1
Heat of Formation 33.7 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 373.11 Å 3
Surface Area 327.0 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey VPNWVSODKQEDJQ-UHFFFAOYSA-N
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Elements H C N F