Geometry & MOs

Info

ID:	297432
PubChem CID:	117617285
Reduced:	O3F6C37H48 (1)
Stoich.:	A3B6C37D48 (1)
Weight, g/mol:	424.258915
ΔH_f, kcal/mol:	-407.21
Dipole, Da:	1.1
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-but-3-enyl-3-fluorophenoxy)-1,2-difluoropropyl]cyclohexyl]-5-methyloxane

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=C(C=C1)OCC(CC2=C(C(=C(C=C2)OCCC(C3CCC(CC3)/C=C/C4CCC(CC4)C)F)F)F)F)F)F

DOS

IR

Vibrations