Geometry & MOs

Info

ID:	437126
PubChem CID:	135215035
Reduced:	O2N3H21C39 (1)
Stoich.:	A2B3C21D39 (1)
Weight, g/mol:	489.147727
ΔH_f, kcal/mol:	171.21
Dipole, Da:	3.56
IP(EA), eV:	-8.66(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(10-pyridin-4-ylanthracen-9-yl)-[1,4]benzodioxino[3,2-b]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)OC8=NC9=CC=CC=C9N=C8O7)C#N

DOS

IR

Vibrations