Geometry & MOs

Info

ID:	376741
PubChem CID:	134222767
Reduced:	O2F7H19C22 (1)
Stoich.:	A2B7C19D22 (1)
Weight, g/mol:	448.127327
ΔH_f, kcal/mol:	-376.56
Dipole, Da:	5.69
IP(EA), eV:	-9.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations