Geometry & MOs

Info

ID:	376323
PubChem CID:	134222334
Reduced:	F3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	412.166157
ΔH_f, kcal/mol:	-261.52
Dipole, Da:	4.24
IP(EA), eV:	-9.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/C1COC(OC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OCF)F

DOS

IR

Vibrations