Geometry & MOs

Info

ID:	376373
PubChem CID:	134222385
Reduced:	FOC24H33 (1)
Stoich.:	ABC24D33 (1)
Weight, g/mol:	466.177865
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	2.11
IP(EA), eV:	-8.8(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

C/C=C/C1CCC(CC1)/C=C/C2CCC(CC2)C3=CC=C(C=C3)OCF

DOS

IR

Vibrations