Geometry & MOs

Info

ID:

376417

PubChem CID:

134222430

Reduced:

O2F8H24C35 (1)

Stoich.:

A2B8C24D35 (1)

Weight, g/mol:

554.124053

ΔHf, kcal/mol:

-369.23

Dipole, Da:

9.09

IP(EA), eV:

 -9.32(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-propylpyrimidine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC=C(C=C3)C4=CC(=C(C=C4)C5=CC(=C(C(=C5)F)OCF)F)F)(F)F)F

DOS

IR

Vibrations