Geometry & MOs

Info

ID:

377477

PubChem CID:

134223532

Reduced:

NOH18C32 (2)

Stoich.:

ABC18D32 (2)

Weight, g/mol:

895.294725

ΔHf, kcal/mol:

234.05

Dipole, Da:

2.13

IP(EA), eV:

 -8.18(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)OC6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=CC=C(C=C1)C1=C2C=CC=C3C2=C(C=C1)C1=CC=CC=C13

DOS

IR

Vibrations