Geometry & MOs

Info

ID:

442002

PubChem CID:

135247736

Reduced:

FO10C36H41 (1)

Stoich.:

AB10C36D41 (1)

Weight, g/mol:

548.254972

ΔHf, kcal/mol:

-402.63

Dipole, Da:

2.84

IP(EA), eV:

 -8.95(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[3-fluoro-4-(5,5,5-trifluoropentyl)phenyl]cyclohexa-1,5-dien-1-yl]-5-(2-methoxyethoxy)phenoxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

CCCCCC1=C(C=C(C=C1)C(O)OC2=CC=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO)F

DOS

IR

Vibrations