Geometry & MOs

Info

ID:	229256
PubChem CID:	87567277
Reduced:	FOSN3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	229.076414
ΔH_f, kcal/mol:	17.51
Dipole, Da:	1.83
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-3-(3,3,4,4,4-pentafluorobutyl)imidazol-1-ium

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NC=CN=C4)/C3)S

DOS

IR

Vibrations