Geometry & MOs

Info

ID:

379439

PubChem CID:

134419487

Reduced:

F3O4H59C61 (1)

Stoich.:

A3B4C59D61 (1)

Weight, g/mol:

900.342644

ΔHf, kcal/mol:

-223.91

Dipole, Da:

2.07

IP(EA), eV:

 -8.36(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(7-methylpyren-1-yl)-9-(3-prop-2-enoyloxypropyl)-7-[7-(3,3,3-trifluoropropyl)pyren-1-yl]fluoren-9-yl]propyl prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(C5(CCCCCOC(=O)C=C)CCCCCOC(=O)C=C)C=C(C=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C8(C)CCC(F)(F)F)C

DOS

IR

Vibrations