Geometry & MOs

Info

ID:	376813
PubChem CID:	134222839
Reduced:	O3F10H24C29 (1)
Stoich.:	A3B10C24D29 (1)
Weight, g/mol:	530.149205
ΔH_f, kcal/mol:	-579.69
Dipole, Da:	11.64
IP(EA), eV:	-9.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations