Geometry & MOs

Info

ID:	49253
PubChem CID:	11532359
Reduced:	ON8C24H28 (1)
Stoich.:	AB8C24D28 (1)
Weight, g/mol:	444.20893
ΔH_f, kcal/mol:	97.03
Dipole, Da:	3.76
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibutoxy-9,10-bis(penta-1,4-diyn-3-ylidene)anthracene

Drug info:

PubChemData

Smile

C1CC(CCC1N2CCOCC2)(C#N)C3=CC=C(C=C3)NC4=NN(C(=N4)N)C5=CC=CC=N5

DOS

IR

Vibrations