Geometry & MOs

Info

ID:

316781

PubChem CID:

126631762

Reduced:

O3N8H70C112 (1)

Stoich.:

A3B8C70D112 (1)

Weight, g/mol:

1800.702297

ΔHf, kcal/mol:

463.44

Dipole, Da:

3.56

IP(EA), eV:

 -7.8(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2,6-bis[3-[(9-phenylcarbazol-3-yl)-(9-phenylcarbazol-4-yl)amino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC3=C(C=C1)OC1=CC=CC=C13)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC3=C(C=C1)OC1=CC=CC=C13)C1=CC=CC=C12

DOS

IR

Vibrations