Geometry & MOs

Info

ID:	411919
PubChem CID:	135084775
Reduced:	PRuN2O3C54H73 (1)
Stoich.:	ABC2D3E54F73 (1)
Weight, g/mol:	364.106848
ΔH_f, kcal/mol:	-45.03
Dipole, Da:	6.55
IP(EA), eV:	-7.92(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-methyl-2-phenylimidazol-3-ium;trifluoromethanesulfonate

Drug info:

Smile

CC(C1=C/C(=C/NC(C(N/C=C/2\C(=O)C(=CC(=C2)C(C)(C)C)C(C)(C)C)(C)C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.O.[Ru]

DOS

IR

Vibrations