1-[5-Bromo-2-(3-Hydroxy-1-Piperidinyl)Phenyl]-3-(5-Cyano-2-Pyrazinyl)Urea

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Properties Simple | Detailed

Formula C17H17BrN6O2
IUPAC Name 1-[5-bromo-2-[(1s,3r)-3-hydroxy-1-piperidyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
Molecular Mass 417.260 g·mol−1
Heat of Formation 106.2 ± 16.7 kJ·mol−1
Dipole Moment 9.36 ± 1.08 D
Volume 430.98 Å 3
Surface Area 382.83 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
InChIKey BBKALDDXSCLMBB-CYBMUJFWSA-N
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Elements H C Br O N