Geometry & MOs

Info

ID:	185764
PubChem CID:	77344759
Reduced:	O2F4C33H36 (1)
Stoich.:	A2B4C33D36 (1)
Weight, g/mol:	484.202543
ΔH_f, kcal/mol:	-235.83
Dipole, Da:	3.03
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-prop-1-enyl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4OCC(CO4)C=CC)F)F)F)F

DOS

IR

Vibrations