Geometry & MOs

Info

ID:	185760
PubChem CID:	77344615
Reduced:	F3O3C36H43 (1)
Stoich.:	A3B3C36D43 (1)
Weight, g/mol:	508.258915
ΔH_f, kcal/mol:	-239.48
Dipole, Da:	3.59
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=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