Geometry & MOs

Info

ID:	448114
PubChem CID:	135288558
Reduced:	FON8H15C23 (1)
Stoich.:	ABC8D15E23 (1)
Weight, g/mol:	788.227079
ΔH_f, kcal/mol:	157.31
Dipole, Da:	10.36
IP(EA), eV:	-8.87(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9,10-bis(2-phenylethynyl)anthracen-1-yl]-1-chloro-9,10-bis(2-phenylethynyl)anthracene

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CN=C6)NN4)/N=C32)F

DOS

IR

Vibrations