Geometry & MOs

Info

ID:

446254

PubChem CID:

135273550

Reduced:

O2N3H18C31 (2)

Stoich.:

A2B3C18D31 (2)

Weight, g/mol:

928.279804

ΔHf, kcal/mol:

233.95

Dipole, Da:

0.84

IP(EA), eV:

 -8.14(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-cyano-2,3-di(phenoxazin-10-yl)phenyl]-4,5-di(phenoxazin-10-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)C4=C(C=C(C(=C4)C#N)C5=CC(=C(C=C5C#N)N6C7=CC=CC=C7OC8=CC=CC=C86)N9C1=CC=CC=C1OC1=CC=CC=C19)N1C2=CC=CC=C2OC2=CC=CC=C21

DOS

IR

Vibrations