Geometry & MOs

Info

ID:	180787
PubChem CID:	76685834
Reduced:	IrN4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	688.558317
ΔH_f, kcal/mol:	236.82
Dipole, Da:	23.47
IP(EA), eV:	-9.68(-7.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(2-ethylhexoxy)-2-methyl-4-prop-1-enylphenyl]ethenyl]-7-methyl-9,9-dioctylfluorene

Drug info:

PubChemData

Smile

CC1=NC(=C([C-]=C1)C2=NN=C(N2C3CCCCC3)C(C)C)C.[Ir]

DOS

IR

Vibrations