Geometry & MOs

Info

ID:	376337
PubChem CID:	134222348
Reduced:	O4F5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	460.240071
ΔH_f, kcal/mol:	-434.63
Dipole, Da:	3.97
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F

DOS

IR

Vibrations