5-Butyl-2-(1,1,1,3,3,3-Hexafluoro-2-Hydroxy-2-Propanyl)-3,8-Dimethoxy-6(5H)-Phenanthridinone

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Formula C22H21F6NO4+
IUPAC Name 5-butyl-8-methoxy-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-3h-phenanthridin-3-id-6-one; methanone
Molecular Mass 477.397 g·mol−1
Heat of Formation -1128.1 ± 16.7 kJ·mol−1
Dipole Moment 27.36 ± 1.08 D
Volume 493.53 Å 3
Surface Area 414.2 Å 2
HOMO Energy -7.52 ± 0.55 eV
LUMO Energy -2.62 ± eV
Point Group Symmetry C1
InChIKey VPLUJEBEXYMJLL-UHFFFAOYSA-N
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