Geometry & MOs

Info

ID:	376783
PubChem CID:	134222809
Reduced:	O2F7H25C28 (1)
Stoich.:	A2B7C25D28 (1)
Weight, g/mol:	532.221227
ΔH_f, kcal/mol:	-380.72
Dipole, Da:	9.11
IP(EA), eV:	-9.45(-1.02)
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]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations