Geometry & MOs

Info

ID:	376745
PubChem CID:	134222771
Reduced:	O2F7C23H23 (1)
Stoich.:	A2B7C23D23 (1)
Weight, g/mol:	516.134698
ΔH_f, kcal/mol:	-404.58
Dipole, Da:	8.79
IP(EA), eV:	-9.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[[4-(ethoxymethyl)cyclohexyl]-difluoromethoxy]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F

DOS

IR

Vibrations