Geometry & MOs

Info

ID:	376773
PubChem CID:	134222799
Reduced:	O2F6H28C29 (1)
Stoich.:	A2B6C28D29 (1)
Weight, g/mol:	558.236877
ΔH_f, kcal/mol:	-357.63
Dipole, Da:	9.43
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(OC4=CC(=C(C=C4)C(F)(F)F)F)(F)F

DOS

IR

Vibrations