Geometry & MOs

Info

ID:

316700

PubChem CID:

126631582

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

413.06

Dipole, Da:

4.03

IP(EA), eV:

 -7.87(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)N=C(N=C6N(C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1)N1C3=CC=CC=C3C3=C1C=C(C=C3)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations