Geometry & MOs

Info

ID:	376776
PubChem CID:	134222802
Reduced:	O2F7H27C28 (1)
Stoich.:	A2B7C27D28 (1)
Weight, g/mol:	550.174277
ΔH_f, kcal/mol:	-386.1
Dipole, Da:	9.69
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations