Geometry & MOs

Info

ID:	376801
PubChem CID:	134222827
Reduced:	O2F8H26C29 (1)
Stoich.:	A2B8C26D29 (1)
Weight, g/mol:	450.142977
ΔH_f, kcal/mol:	-428.48
Dipole, Da:	10.07
IP(EA), eV:	-9.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCC1CCC(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