Geometry & MOs

Info

ID:

316702

PubChem CID:

126631588

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

412.55

Dipole, Da:

3.29

IP(EA), eV:

 -7.64(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,9-diphenyl-N-[2-[2-(N-phenylanilino)carbazol-9-yl]-6-[3-(N-phenylanilino)carbazol-9-yl]quinazolin-4-yl]carbazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)N=C(N=C7N(C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations