Geometry & MOs

Info

ID:

316779

PubChem CID:

126631756

Reduced:

O3N8H70C112 (1)

Stoich.:

A3B8C70D112 (1)

Weight, g/mol:

1800.702297

ΔHf, kcal/mol:

476.22

Dipole, Da:

2.62

IP(EA), eV:

 -7.65(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2,6-bis[3-[(9-phenylcarbazol-2-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-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=CC(=NC(=N5)C6=CC(=CC=C6)N(C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC3=C1OC1=CC=CC=C31)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC3=C1OC1=CC=CC=C31)C1=CC=CC3=C1OC1=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations