Geometry & MOs

Info

ID:	376829
PubChem CID:	134222856
Reduced:	O3F8H26C29 (1)
Stoich.:	A3B8C26D29 (1)
Weight, g/mol:	570.180505
ΔH_f, kcal/mol:	-471.16
Dipole, Da:	8.86
IP(EA), eV:	-9.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F)(F)F)F

DOS

IR

Vibrations