Geometry & MOs

Info

ID:	376413
PubChem CID:	134222426
Reduced:	O4F7C27H29 (1)
Stoich.:	A4B7C27D29 (1)
Weight, g/mol:	528.246299
ΔH_f, kcal/mol:	-497.9
Dipole, Da:	4.55
IP(EA), eV:	-9.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-(fluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2=CC(=C(C(=C2)F)C3CCC(CC3)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations