Geometry & MOs

Info

ID:	386283
PubChem CID:	134981288
Reduced:	IrSC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	233.024847
ΔH_f, kcal/mol:	113.83
Dipole, Da:	7.19
IP(EA), eV:	-9.83(-4.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C([C](C(=C1C)C)C)C.C1CC2=C(C=C1)C=CS2.[Ir]

DOS

IR

Vibrations