Geometry & MOs

Info

ID:	325679
PubChem CID:	126684447
Reduced:	ClON2C5H9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	974.37836
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	3.18
IP(EA), eV:	-9.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromo-9,9-dihexylfluoren-2-yl)-1-[(6Z,8E)-8-bromo-11,11-dihexyl-5-methylidene-10H-benzo[9]annulen-2-yl]-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

CCO/N=C\N=C(C)Cl

DOS

IR

Vibrations