2'-[(6R,6Ar,11Br)-2-Carbamimidoyl-6,6A,7,11B-Tetrahydro-5H-Indeno[2,1-C]Quinolin-6-Yl]-5'-Hydroxy-4'-Methoxy-4-Biphenylcarboxylic Acid

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Properties Simple | Detailed

Formula C31H27N3O4
IUPAC Name 4-[2-[(6r,6ar,11br)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5h-indeno[2,1-c]quinolin-6-yl]-5-hydroxy-4-methoxy-phenyl]benzoic acid
Molecular Mass 505.564 g·mol−1
Heat of Formation -277.0 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 595.87 Å 3
Surface Area 470.57 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey UZOHOGNUODEPEP-USOMCTOXSA-N
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