Geometry & MOs

Info

ID:	376822
PubChem CID:	134222849
Reduced:	O2F8H20C27 (1)
Stoich.:	A2B8C20D27 (1)
Weight, g/mol:	562.231792
ΔH_f, kcal/mol:	-399.41
Dipole, Da:	8.34
IP(EA), eV:	-9.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1CCC(=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