1-Methyl-N~5~-(3-{[1-(1-Piperidinyl)-2,3-Dihydro-1H-Inden-4-Yl]Oxy}Propyl)-1H-1,2,4-Triazole-3,5-Diamine

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Properties Simple | Detailed

Formula C20H30N6O
IUPAC Name 1-methyl-n5-[3-[(1s)-1-(1-piperidyl)indan-4-yl]oxypropyl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene-3,5-diamine
Molecular Mass 370.492 g·mol−1
Heat of Formation 81.8 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 463.04 Å 3
Surface Area 344.58 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
InChIKey YRDMAGHINYDFEO-KRWDZBQOSA-N
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