Geometry & MOs

Info

ID:	392400
PubChem CID:	135015426
Reduced:	ClNO3C32H32 (1)
Stoich.:	ABC3D32E32 (1)
Weight, g/mol:	454.272794
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	4.19
IP(EA), eV:	-8.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dioctylfluorene-4,5-dithiol

Drug info:

PubChemData

Smile

CCNCCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations