Geometry & MOs

Info

ID:	376736
PubChem CID:	134222762
Reduced:	O3F7C23H23 (1)
Stoich.:	A3B7C23D23 (1)
Weight, g/mol:	496.12847
ΔH_f, kcal/mol:	-442.75
Dipole, Da:	8.49
IP(EA), eV:	-9.58(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-5-[4-(ethoxymethyl)cyclohexen-1-yl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F)F

DOS

IR

Vibrations