Geometry & MOs

Info

ID:

379440

PubChem CID:

134419488

Reduced:

F3O4H47C61 (1)

Stoich.:

A3B4C47D61 (1)

Weight, g/mol:

964.355101

ΔHf, kcal/mol:

-172.57

Dipole, Da:

4.4

IP(EA), eV:

 -8.29(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[3-(2-methylprop-2-enoyloxy)propyl]-2-(7-methylpyren-1-yl)-7-[7-(2,2,3,3,3-pentafluoropropyl)pyren-1-yl]fluoren-9-yl]propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC6=C(C=C5)C7=C(C6(CCCOC(=O)C=C)CCCOC(=O)C=C)C=C(C=C7)C8=C9C=CC1=C2C9=C(C=CC2=CC(=C1)CCC(F)(F)F)C=C8

DOS

IR

Vibrations