Geometry & MOs

Info

ID:	233199
PubChem CID:	87895528
Reduced:	ClFSN4C26H32 (1)
Stoich.:	ABCD4E26F32 (1)
Weight, g/mol:	531.561725
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	8.63
IP(EA), eV:	-8.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-hexadecyl-3-nonyl-2-octylimidazol-3-ium

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=CN=C2C(CC=C)N(C3=CC=C(C=C3)F)C(=S)NC4CCCCC4)C.Cl

DOS

IR

Vibrations