Geometry & MOs

Info

ID:	376347
PubChem CID:	134222358
Reduced:	O4F7H23C27 (1)
Stoich.:	A4B7C23D27 (1)
Weight, g/mol:	534.142977
ΔH_f, kcal/mol:	-452.31
Dipole, Da:	5.96
IP(EA), eV:	-9.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylphenyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations