Geometry & MOs

Info

ID:

315971

PubChem CID:

126629513

Reduced:

N3H43C67 (1)

Stoich.:

A3B43C67 (1)

Weight, g/mol:

827.293663

ΔHf, kcal/mol:

315.48

Dipole, Da:

1.61

IP(EA), eV:

 -7.75(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(11',12-diphenylspiro[indeno[1,2-a]carbazole-7,12'-indeno[2,1-a]carbazole]-8'-yl)phenoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=C3C8=C(C=C7)C9=CC=CC=C9C81C2=C(C3=CC=CC=C13)C1=C(C=C2)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations