Geometry & MOs

Info

ID:	376758
PubChem CID:	134222784
Reduced:	O2F7H25C28 (1)
Stoich.:	A2B7C25D28 (1)
Weight, g/mol:	540.189927
ΔH_f, kcal/mol:	-379.13
Dipole, Da:	8.48
IP(EA), eV:	-9.55(-1.06)
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-[4-(propoxymethyl)cyclohexyl]phenyl]benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations