Geometry & MOs

Info

ID:	376803
PubChem CID:	134222829
Reduced:	O3F9H25C29 (1)
Stoich.:	A3B9C25D29 (1)
Weight, g/mol:	480.153542
ΔH_f, kcal/mol:	-532.41
Dipole, Da:	9.26
IP(EA), eV:	-9.61(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=C(C(=C(C=C2)C(OC3=CC(=C(C=C3)C4=CC(=C(C=C4)OC(F)(F)F)F)F)(F)F)F)F

DOS

IR

Vibrations