Geometry & MOs

Info

ID:

442702

PubChem CID:

135255836

Reduced:

O3N4C20H24 (2)

Stoich.:

A3B4C20D24 (2)

Weight, g/mol:

1038.349781

ΔHf, kcal/mol:

-88.72

Dipole, Da:

3.24

IP(EA), eV:

 -8.6(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(10-naphthalen-2-ylanthracen-9-yl)-6-[5-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C#C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations