Geometry & MOs

Info

ID:	376786
PubChem CID:	134222812
Reduced:	OF3H13C14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	544.164855
ΔH_f, kcal/mol:	-334.28
Dipole, Da:	8.08
IP(EA), eV:	-9.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-5-[4-(ethoxymethyl)cyclohexyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations