Geometry & MOs

Info

ID:	376766
PubChem CID:	134222792
Reduced:	O2F5H27C28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	558.180505
ΔH_f, kcal/mol:	-283.67
Dipole, Da:	7.4
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F

DOS

IR

Vibrations