Geometry & MOs

Info

ID:

316735

PubChem CID:

126631678

Reduced:

N4H29C43 (2)

Stoich.:

A4B29C43 (2)

Weight, g/mol:

1203.473693

ΔHf, kcal/mol:

435.73

Dipole, Da:

1.7

IP(EA), eV:

 -7.86(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[6-[4,6-bis[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-N,N-diphenylcarbazol-3-amine

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=CC7=C(C=C6)C=C(C=C7)C8=CC(=NC(=N8)N9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C19)N1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations