Geometry & MOs

Info

ID:	376774
PubChem CID:	134222800
Reduced:	O2F7C30H33 (1)
Stoich.:	A2B7C30D33 (1)
Weight, g/mol:	574.17542
ΔH_f, kcal/mol:	-402.37
Dipole, Da:	8.49
IP(EA), eV:	-9.76(-1.08)
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]methoxy]-2-fluorophenyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

C=CCCOCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations