Geometry & MOs

Info

ID:	376316
PubChem CID:	134222326
Reduced:	OF3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	456.155987
ΔH_f, kcal/mol:	-155.04
Dipole, Da:	3.61
IP(EA), eV:	-9.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-difluoro-4-(fluoromethoxy)phenyl] 2-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzoate

Drug info:

PubChemData

Smile

CC#CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)OCF)F

DOS

IR

Vibrations