Geometry & MOs

Info

ID:	225967
PubChem CID:	87246505
Reduced:	F3O3N4C12H15 (1)
Stoich.:	A3B3C4D12E15 (1)
Weight, g/mol:	698.465222
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	6.36
IP(EA), eV:	-10.24(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-methylimidazol-3-ium;2,2-dioctyl-3-sulfobutanedioate

Drug info:

PubChemData

Smile

CC(C)(C=CC=O)NCC1=C(N=C(N1C)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations