4-(Sec-Butylsulfanyl)-3-Methyl-1-Phenyl-1H-Pyrazol-5-Amine

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Properties Simple | Detailed

Formula C14H19N3S
IUPAC Name 5-methyl-4-[(1s)-1-methylpropyl]sulfanyl-2-phenyl-pyrazol-2-ium-1-id-3-amine
Molecular Mass 261.386 g·mol−1
Heat of Formation 197.2 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 327.44 Å 3
Surface Area 294.7 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey GMRTYDLNFBSKTG-JTQLQIEISA-N
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