Geometry & MOs

Info

ID:

379435

PubChem CID:

134419437

Reduced:

F3O4H45C52 (1)

Stoich.:

A3B4C45D52 (1)

Weight, g/mol:

1068.530445

ΔHf, kcal/mol:

-194.78

Dipole, Da:

3.26

IP(EA), eV:

 -8.65(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2,7-bis(7-tert-butylpyren-1-yl)-9-[5,5,5-trifluoro-4-(2-methylprop-2-enoyloxymethyl)pentyl]fluoren-9-yl]-2-methylpentyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C=CC(=O)OCCCCC1(C2=C(C=CC(=C2)C3=C4C=CC=C5C4=C(C=C3)C6=CC=CC=C65)C7=C1C=C(C=C7)C8=CC=CC(=C8)CCC(F)(F)F)CCCCOC(=O)C=C

DOS

IR

Vibrations