Geometry & MOs

Info

ID:

311620

PubChem CID:

126595687

Reduced:

N5H39C62 (1)

Stoich.:

A5B39C62 (1)

Weight, g/mol:

631.225977

ΔHf, kcal/mol:

331.32

Dipole, Da:

6.05

IP(EA), eV:

 -7.97(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(N-[9-(4-formylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)C#N)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations