Geometry & MOs

Info

ID:

316716

PubChem CID:

126631633

Reduced:

N3H21C31 (3)

Stoich.:

A3B21C31 (3)

Weight, g/mol:

1533.622649

ΔHf, kcal/mol:

476.45

Dipole, Da:

1.18

IP(EA), eV:

 -7.86(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[4-[2,6-bis[4-[3-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC=C(C=C8)N9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C19)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations