Geometry & MOs

Info

ID:	220542
PubChem CID:	85197718
Reduced:	F3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	326.99675
ΔH_f, kcal/mol:	-325.93
Dipole, Da:	2.88
IP(EA), eV:	-9.68(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(iodomethyl)-6-methyl-2-oxo-1,3-oxazinane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCC=CC(C(COC)OC(C)OCC)C(F)(F)F

DOS

IR

Vibrations