(3R)-5-(2-Fluorophenyl)-1,3-Dimethyl-7-Nitro-3H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C17H14FN3O3
IUPAC Name (3r)-5-(2-fluorophenyl)-1,3-dimethyl-7-nitro-3h-1,4-benzodiazepin-2-one
Molecular Mass 327.310 g·mol−1
Heat of Formation -103.8 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 363.03 Å 3
Surface Area 315.63 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
InChIKey GWSAFZQJMXLNBY-SNVBAGLBSA-N
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