Geometry & MOs

Info

ID:	376779
PubChem CID:	134222805
Reduced:	O2F7C28H29 (1)
Stoich.:	A2B7C28D29 (1)
Weight, g/mol:	598.212948
ΔH_f, kcal/mol:	-398.24
Dipole, Da:	8.43
IP(EA), eV:	-9.69(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-4-[4-[4-(ethoxymethyl)cyclohexyl]cyclohexyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2CCC(=CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations