Geometry & MOs

Info

ID:	411798
PubChem CID:	135084643
Reduced:	AuClPO3C37H53 (2)
Stoich.:	ABCD3E37F53 (2)
Weight, g/mol:	395.899863
ΔH_f, kcal/mol:	-254.61
Dipole, Da:	19.46
IP(EA), eV:	-8.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-methylimidazol-3-ium;trichloroindigane;chloride

Drug info:

Smile

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)[PH+](C2=CC=CC(=C2C3=C(C=CC=C3[PH+](C4=CC(=C(C(=C4)C(C)(C)C)OC)C(C)(C)C)C5=CC(=C(C(=C5)C(C)(C)C)OC)C(C)(C)C)OC)OC)C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C.Cl[Au].Cl[Au]

DOS

IR

Vibrations