Geometry & MOs

Info

ID:	376725
PubChem CID:	134222750
Reduced:	O3F8H20C27 (1)
Stoich.:	A3B8C20D27 (1)
Weight, g/mol:	436.127327
ΔH_f, kcal/mol:	-458.33
Dipole, Da:	9.2
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-(methoxymethyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

C1CC2(CCC1C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C=C4)C5=CC(=C(C(=C5)F)F)F)F)(F)F)F)OCCO2

DOS

IR

Vibrations