Geometry & MOs

Info

ID:	225519
PubChem CID:	85852681
Reduced:	FH5C6 (5)
Stoich.:	AB5C6 (5)
Weight, g/mol:	498.17822
ΔH_f, kcal/mol:	-176.44
Dipole, Da:	3.28
IP(EA), eV:	-9.27(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-difluoro-4-[3-fluoro-4-(3-fluoro-4-propylphenyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C=C4)CCC)F)F)F)F)F

DOS

IR

Vibrations