Geometry & MOs

Info

ID:	376784
PubChem CID:	134222810
Reduced:	O2F7C28H31 (1)
Stoich.:	A2B7C28D31 (1)
Weight, g/mol:	532.221227
ΔH_f, kcal/mol:	-415.21
Dipole, Da:	7.7
IP(EA), eV:	-9.69(-1.11)
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]cyclohexyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F

DOS

IR

Vibrations