Geometry & MOs

Info

ID:

316497

PubChem CID:

126631011

Reduced:

NH13C18 (4)

Stoich.:

AB13C18 (4)

Weight, g/mol:

1423.522995

ΔHf, kcal/mol:

267.92

Dipole, Da:

2.86

IP(EA), eV:

 -8.13(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[7-[4,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C5=CC=CC=C5N(C4=C3)C6=C7C=C(C(=CC7=NC=C6)N8C9=CC=CC=C9C1=CC2=C(C=C18)C1=CC=CC=C1C2(C)C)N1C2=CC=CC=C2C2=CC3=C(C=C21)C1=CC=CC=C1C3(C)C)C

DOS

IR

Vibrations