Geometry & MOs

Info

ID:	376767
PubChem CID:	134222793
Reduced:	O2F8H26C29 (1)
Stoich.:	A2B8C26D29 (1)
Weight, g/mol:	544.164855
ΔH_f, kcal/mol:	-426.9
Dipole, Da:	9.83
IP(EA), eV:	-9.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F

DOS

IR

Vibrations