At7519

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Properties Simple | Detailed

Formula C16H17Cl2N5O2
IUPAC Name 4-[(2,6-dichlorobenzoyl)amino]-n-(4-piperidyl)pyrazol-2-ium-4-ylium-3-carboxamide
Molecular Mass 382.244 g·mol−1
Heat of Formation -127.4 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 410.59 Å 3
Surface Area 361.75 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2,6-dichlorobenzoyl)amino]-n-(4-piperidyl)-2h-pyrazole-3-carboxamide
  • 4-[(2,6-dichlorophenyl)carbonylamino]-n-piperidin-4-yl-2h-pyrazole-3-carboxamide
  • 4-[[(2,6-dichlorophenyl)-oxomethyl]amino]-n-(4-piperidinyl)-2h-pyrazole-3-carboxamide
InChIKey OVPNQJVDAFNBDN-UHFFFAOYSA-N
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Elements H C N O Cl