Geometry & MOs

Info

ID:

316734

PubChem CID:

126631675

Reduced:

N3H21C31 (3)

Stoich.:

A3B21C31 (3)

Weight, g/mol:

1202.478444

ΔHf, kcal/mol:

490.52

Dipole, Da:

1.41

IP(EA), eV:

 -8.02(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC4=C3N(C5=CC=CC=C45)C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=C9C(=CC=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C(=CC=C2)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations