Geometry & MOs

Info

ID:

226944

PubChem CID:

87559119

Reduced:

AgBH8C36F36 (1)

Stoich.:

ABC8D36E36 (1)

Weight, g/mol:

630.080513

ΔHf, kcal/mol:

-2150.11

Dipole, Da:

16.09

IP(EA), eV:

 -8.96(-6.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethanol;[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol;zirconium

Drug info:

PubChemData

Smile

[B-](C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)(C2=C(C=C(C=C2C(F)(F)F)C(F)(F)F)C(F)(F)F)(C3=C(C=C(C=C3C(F)(F)F)C(F)(F)F)C(F)(F)F)C4=C(C=C(C=C4C(F)(F)F)C(F)(F)F)C(F)(F)F.[Ag+]

DOS

IR

Vibrations