Geometry & MOs

Info

ID:	376293
PubChem CID:	134222303
Reduced:	OF2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	338.112979
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	2.55
IP(EA), eV:	-8.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-ethyl-1,3-dioxan-2-yl)-2-fluorophenyl]-2,6-difluorophenol

Drug info:

PubChemData

Smile

C1CC(CCC1CCCF)C2=CC=C(C=C2)C3=CC=C(C=C3)OCF

DOS

IR

Vibrations