Geometry & MOs

Info

ID:

442498

PubChem CID:

135252487

Reduced:

N6H46C67 (1)

Stoich.:

A6B46C67 (1)

Weight, g/mol:

976.352575

ΔHf, kcal/mol:

350.59

Dipole, Da:

6.01

IP(EA), eV:

 -7.81(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-9-[4-[2-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazol-6-yl]phenyl]carbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=C2C=CC(=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=C2C(=CN=N1)C=CC=N2

DOS

IR

Vibrations