Geometry & MOs

Info

ID:	233344
PubChem CID:	89850280
Reduced:	O3F8C27H34 (1)
Stoich.:	A3B8C27D34 (1)
Weight, g/mol:	490.343393
ΔH_f, kcal/mol:	-580.81
Dipole, Da:	5.73
IP(EA), eV:	-9.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-(4-pentylcyclohexyl)oxymethyl]-4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexene

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C(OC2CCC(=CC2)C(OC3=CC(=C(C=C3)OC(F)(F)F)F)(F)F)(F)F

DOS

IR

Vibrations