4-[3-(Trifluoromethyl)-3-Diaziridinyl]-L-Phenylalanine

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Properties Simple | Detailed

Formula C11H12F3N3O2
IUPAC Name (2s)-2-amino-3-[4-[3-(trifluoromethyl)diaziridin-3-yl]phenyl]propanoic acid
Molecular Mass 275.227 g·mol−1
Heat of Formation -707.8 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 299.98 Å 3
Surface Area 271.39 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey XCRAOXMHVJUSSJ-QMMMGPOBSA-N
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