Geometry & MOs

Info

ID:

379441

PubChem CID:

134419489

Reduced:

O4F5H49C63 (1)

Stoich.:

A4B5C49D63 (1)

Weight, g/mol:

976.467845

ΔHf, kcal/mol:

-280.64

Dipole, Da:

5.04

IP(EA), eV:

 -8.31(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(7-tert-butylpyren-1-yl)-9-[5-(2-methylprop-2-enoyloxy)pentyl]-7-(5,6,7-trifluoro-9,9-dimethylfluoren-2-yl)fluoren-9-yl]pentyl 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)C)CCCOC(=O)C(=C)C)C=C(C=C7)C8=C9C=CC1=C2C9=C(C=CC2=CC(=C1)CC(C(F)(F)F)(F)F)C=C8

DOS

IR

Vibrations