Geometry & MOs

Info

ID:

379442

PubChem CID:

134419492

Reduced:

F3O4H63C66 (1)

Stoich.:

A3B4C63D66 (1)

Weight, g/mol:

714.295694

ΔHf, kcal/mol:

-206.48

Dipole, Da:

5.21

IP(EA), eV:

 -8.23(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(7-tert-butylpyren-1-yl)-9-(3-prop-2-enoyloxypropyl)-6-(trifluoromethyl)fluoren-9-yl]propyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCCC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)C5=C(C(=C(C=C5C4(C)C)F)F)F)C6=C1C=C(C=C6)C7=C8C=CC9=C1C8=C(C=CC1=CC(=C9)C(C)(C)C)C=C7)CCCCCOC(=O)C(=C)C

DOS

IR

Vibrations