Geometry & MOs

Info

ID:

316720

PubChem CID:

126631643

Reduced:

N3H21C31 (3)

Stoich.:

A3B21C31 (3)

Weight, g/mol:

1305.528749

ΔHf, kcal/mol:

474.19

Dipole, Da:

1.35

IP(EA), eV:

 -7.97(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=C9C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations