Geometry & MOs

Info

ID:	186579
PubChem CID:	77447577
Reduced:	FN2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	508.16857
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	2.71
IP(EA), eV:	-8.72(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(5,6-dihydroxy-8-iodooct-1-enyl)-5-hydroxycyclohexyl]ethenyl]cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(C(C1)F)N

DOS

IR

Vibrations