Geometry & MOs

Info

ID:	231328
PubChem CID:	87573483
Reduced:	OSN9C20H21 (1)
Stoich.:	ABC9D20E21 (1)
Weight, g/mol:	464.270088
ΔH_f, kcal/mol:	86.23
Dipole, Da:	4.3
IP(EA), eV:	-8.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tributyl(octyl)phosphanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCSNC(=O)NC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2C4=NC(=NC(=N4)N)C

DOS

IR

Vibrations