Geometry & MOs

Info

ID:

316684

PubChem CID:

126631550

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1126.447144

ΔHf, kcal/mol:

418.79

Dipole, Da:

3.63

IP(EA), eV:

 -7.89(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,4-N,6-N-triphenyl-2-N,6-N-bis(9-phenylcarbazol-2-yl)-4-N-(9-phenylcarbazol-3-yl)quinazoline-2,4,6-triamine

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)N(C1=CC=CC=C19)C1=CC=CC=C1)N(C1=CC=CC=C1)C1=CC3=C(C=C1)C1=CC=CC=C1N3C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations