3-{4-[2-(4-Bromophenoxy)Ethyl]-1-Piperazinyl}-1H-1,2,4-Triazol-5-Amine

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Properties Simple | Detailed

Formula C14H19BrN6O
IUPAC Name 3-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-1h-1,2,4-triazol-5-amine
Molecular Mass 367.244 g·mol−1
Heat of Formation 234.9 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 382.94 Å 3
Surface Area 349.21 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[4-[2-(4-bromophenoxy)ethyl]-1-piperazinyl]-2h-1,2,4-triazol-3-amine
  • 5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-2h-1,2,4-triazol-3-amine
  • [5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-2h-1,2,4-triazol-3-yl]amine
InChIKey GGFPYJPCWQIIKE-UHFFFAOYSA-N
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Elements H C Br O N