Geometry & MOs

Info

ID:	231451
PubChem CID:	87573758
Reduced:	NO5C13H19 (2)
Stoich.:	AB5C13D19 (2)
Weight, g/mol:	436.238788
ΔH_f, kcal/mol:	-412.04
Dipole, Da:	7.09
IP(EA), eV:	-8.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl(triethyl)phosphanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(O)OC2=NN(C(=C2CC3=CC=C(C=C3)OC(C)C)C)C(C)C)O)O)O

DOS

IR

Vibrations