Geometry & MOs

Info

ID:	376286
PubChem CID:	134222296
Reduced:	O2F5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	400.222529
ΔH_f, kcal/mol:	-317.25
Dipole, Da:	6.14
IP(EA), eV:	-9.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC=C(C=C2)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F

DOS

IR

Vibrations