N-{3-[(1S,4S,6S)-2-Amino-4-Methyl-3-Azabicyclo[4.1.0]Hept-2-En-4-Yl]-4-Fluorophenyl}-5-Chloro-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C19H18ClFN4O
IUPAC Name n-[3-[(1s,4s,6s)-2-amino-4-methyl-3-azabicyclo[4.1.0]hept-2-en-4-yl]-4-fluoro-phenyl]-5-chloro-pyridine-2-carboxamide
Molecular Mass 372.824 g·mol−1
Heat of Formation -30.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 418.22 Å 3
Surface Area 370.08 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey MELPDVINWCDKRF-JXBWDGJFSA-N
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Elements C F H Cl O N