Geometry & MOs

Info

ID:	185759
PubChem CID:	77344614
Reduced:	F3O3C35H41 (1)
Stoich.:	A3B3C35D41 (1)
Weight, g/mol:	580.31643
ΔH_f, kcal/mol:	-234.36
Dipole, Da:	3.6
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCOC1=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