Geometry & MOs

Info

ID:

393412

PubChem CID:

135020481

Reduced:

O2F3H12C18 (2)

Stoich.:

A2B3C12D18 (2)

Weight, g/mol:

690.220478

ΔHf, kcal/mol:

-363.24

Dipole, Da:

6.08

IP(EA), eV:

 -8.52(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-hydroxy-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=CC(=C6)C(F)(F)F)OC)O

DOS

IR

Vibrations