Geometry & MOs

Info

ID:	228757
PubChem CID:	87565683
Reduced:	O9C11H20 (1)
Stoich.:	A9B11C20 (1)
Weight, g/mol:	418.069794
ΔH_f, kcal/mol:	-422.92
Dipole, Da:	9.3
IP(EA), eV:	-10.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-formyl-6-(2-phenylmethoxypropoxy)phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCOC(C(CC(=O)O)C(=O)O)C(=O)O.C(CO)O

DOS

IR

Vibrations