Geometry & MOs

Info

ID:	376281
PubChem CID:	134222291
Reduced:	FO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	398.150507
ΔH_f, kcal/mol:	-127.68
Dipole, Da:	3.03
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/C1COC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCF

DOS

IR

Vibrations