Geometry & MOs

Info

ID:

313157

PubChem CID:

126612272

Reduced:

ON3H51C72 (1)

Stoich.:

AB3C51D72 (1)

Weight, g/mol:

801.371913

ΔHf, kcal/mol:

291.33

Dipole, Da:

3.56

IP(EA), eV:

 -7.36(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(2,4-dimethylphenyl)-2-N,8-N-bis(4-methylphenyl)-2-N,8-N-bis(2-phenylphenyl)phenoxazine-2,8-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2N3C4=C(C=CC(=C4)N(C5=CC=CC=C5C6=CC=CC=C6)C7=CC=CC=C7C8=CC=CC=C8)OC9=C3C=C(C=C9)N(C1=CC=CC=C1C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations