Geometry & MOs

Info

ID:	376727
PubChem CID:	134222752
Reduced:	O2F8H20C27 (1)
Stoich.:	A2B8C20D27 (1)
Weight, g/mol:	530.149205
ΔH_f, kcal/mol:	-397.28
Dipole, Da:	9.82
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC=C1CCC(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