Geometry & MOs

Info

ID:

442739

PubChem CID:

135256016

Reduced:

N4C9H10 (1)

Stoich.:

A4B9C10 (1)

Weight, g/mol:

1247.419926

ΔHf, kcal/mol:

115.69

Dipole, Da:

3.87

IP(EA), eV:

-9.85(-0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[10-[7-[3-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-6-phenylpyrimidin-4-yl]phenyl]naphtho[2,3-b][1]benzofuran-2-yl]anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CC1C2=CC=CC(=N2)CN=[N+]=[N-]

DOS

IR

Vibrations