Geometry & MOs

Info

ID:	376389
PubChem CID:	134222401
Reduced:	O2F7H21C29 (1)
Stoich.:	A2B7C21D29 (1)
Weight, g/mol:	552.133555
ΔH_f, kcal/mol:	-345.11
Dipole, Da:	8.28
IP(EA), eV:	-9.42(-1.1)
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-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F)F

DOS

IR

Vibrations