Geometry & MOs

Info

ID:	376754
PubChem CID:	134222780
Reduced:	O3F7C23H23 (1)
Stoich.:	A3B7C23D23 (1)
Weight, g/mol:	526.174277
ΔH_f, kcal/mol:	-435.57
Dipole, Da:	8.95
IP(EA), eV:	-9.77(-0.92)
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]phenyl]-2,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)COC2=C(C(=C(C=C2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F)F

DOS

IR

Vibrations