Geometry & MOs

Info

ID:	228073
PubChem CID:	87563334
Reduced:	ClF3O3N4H24C27 (1)
Stoich.:	AB3C3D4E24F27 (1)
Weight, g/mol:	456.12741
ΔH_f, kcal/mol:	-165.42
Dipole, Da:	7.78
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-methyl-1H-imidazol-3-ium;octane;palladium;sulfuric acid

Drug info:

PubChemData

Smile

C#CCN1C(=O)C2=C(CCN(C2)C(=O)COC3=CC=C(C=C3)Cl)N=C1NCCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations