Geometry & MOs

Info

ID:	230691
PubChem CID:	87571667
Reduced:	NOF6H13C14 (1)
Stoich.:	ABC6D13E14 (1)
Weight, g/mol:	441.98657
ΔH_f, kcal/mol:	-332.47
Dipole, Da:	5.79
IP(EA), eV:	-10.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diiodopropan-1-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CCC(=O)N1CC(F)(F)F)C2=C(C=CC(=C2F)F)F

DOS

IR

Vibrations