Geometry & MOs

Info

ID:	376343
PubChem CID:	134222354
Reduced:	FOC23H27 (1)
Stoich.:	ABC23D27 (1)
Weight, g/mol:	566.149205
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	2.69
IP(EA), eV:	-8.85(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

C=CC1CCC(CC1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)OCF

DOS

IR

Vibrations