Geometry & MOs

Info

ID:

379436

PubChem CID:

134419442

Reduced:

F3O4H71C73 (1)

Stoich.:

A3B4C71D73 (1)

Weight, g/mol:

808.31272

ΔHf, kcal/mol:

-235.14

Dipole, Da:

3.43

IP(EA), eV:

 -8.1(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-bromo-2-tert-butyl-7-(7-tert-butylpyren-1-yl)-9-(4-prop-2-enoyloxybutyl)fluoren-9-yl]butyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(CCCC1(C2=C(C=CC(=C2)C3=C4C=CC5=C6C4=C(C=CC6=CC(=C5)C(C)(C)C)C=C3)C7=C1C=C(C=C7)C8=C9C=CC1=C2C9=C(C=CC2=CC(=C1)C(C)(C)C)C=C8)CCCC(COC(=O)C(=C)C)C(F)(F)F)COC(=O)C(=C)C

DOS

IR

Vibrations