Geometry & MOs

Info

ID:

442712

PubChem CID:

135255921

Reduced:

O2N8H24C25 (1)

Stoich.:

A2B8C24D25 (1)

Weight, g/mol:

1243.447036

ΔHf, kcal/mol:

73.01

Dipole, Da:

12.82

IP(EA), eV:

 -9.12(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[3-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anthracen-9-yl]phenyl]phenyl]-10-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations