Geometry & MOs

Info

ID:	233343
PubChem CID:	89850279
Reduced:	O2F9C24H27 (1)
Stoich.:	A2B9C24D27 (1)
Weight, g/mol:	558.23802
ΔH_f, kcal/mol:	-578.26
Dipole, Da:	7.43
IP(EA), eV:	-10.52(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[difluoro-(4-hexylcyclohexyl)methoxy]cyclohexen-1-yl]-difluoromethoxy]-2-fluoro-1-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C(OC2CCC(=CC2)C(OC3=CC(=C(C(=C3)F)C(F)(F)F)F)(F)F)(F)F

DOS

IR

Vibrations