Geometry & MOs

Info

ID:	376393
PubChem CID:	134222405
Reduced:	O3F7H25C28 (1)
Stoich.:	A3B7C25D28 (1)
Weight, g/mol:	516.302671
ΔH_f, kcal/mol:	-419.23
Dipole, Da:	7.3
IP(EA), eV:	-9.66(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations