Geometry & MOs

Info

ID:	220525
PubChem CID:	85197657
Reduced:	OH3C8F11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	324.02224
ΔH_f, kcal/mol:	-585.5
Dipole, Da:	6.17
IP(EA), eV:	-10.93(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-2-(iodomethyl)-5,5-dimethylhex-3-ynyl] acetate

Drug info:

PubChemData

Smile

COC(=C(C(=C(C(F)(F)F)F)C(F)(F)F)C(F)(F)F)F

DOS

IR

Vibrations