Geometry & MOs

Info

ID:	376751
PubChem CID:	134222777
Reduced:	O2F7C24H25 (1)
Stoich.:	A2B7C24D25 (1)
Weight, g/mol:	526.174277
ΔH_f, kcal/mol:	-408.62
Dipole, Da:	9.21
IP(EA), eV:	-9.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F

DOS

IR

Vibrations