Geometry & MOs

Info

ID:

442723

PubChem CID:

135255963

Reduced:

O2N9H25C26 (1)

Stoich.:

A2B9C25D26 (1)

Weight, g/mol:

1341.462686

ΔHf, kcal/mol:

92.63

Dipole, Da:

5.56

IP(EA), eV:

 -9.39(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[10-[3-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)phenyl]phenanthren-3-yl]-10-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N)N5CCC(C5)C(=O)O

DOS

IR

Vibrations