Geometry & MOs

Info

ID:	185758
PubChem CID:	77344613
Reduced:	F3O3C33H37 (1)
Stoich.:	A3B3C33D37 (1)
Weight, g/mol:	566.30078
ΔH_f, kcal/mol:	-224.02
Dipole, Da:	2.61
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-3-fluorophenyl]-5-pent-3-enyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4OCC(CO4)CCC=CC)F)F)F

DOS

IR

Vibrations