Geometry & MOs

Info

ID:	394125
PubChem CID:	135022387
Reduced:	NO9C21H31 (1)
Stoich.:	AB9C21D31 (1)
Weight, g/mol:	338.07428
ΔH_f, kcal/mol:	-334.38
Dipole, Da:	3.85
IP(EA), eV:	-10.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethenyl-5-iodo-2-methylpentoxy)oxane

Drug info:

PubChemData

Smile

CC(C(=O)O[C@@H]1[C@@H]2C(COC13COC4(O3)CCCCC4)OC5(O2)CCCCC5)[N+](=O)[O-]

DOS

IR

Vibrations