Geometry & MOs

Info

ID:	231161
PubChem CID:	87572813
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	520.332688
ΔH_f, kcal/mol:	-189.51
Dipole, Da:	2.03
IP(EA), eV:	-10.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dibutylhexadecan-5-ylphosphanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)C(CO)CO

DOS

IR

Vibrations