Geometry & MOs

Info

ID:

316451

PubChem CID:

126630930

Reduced:

O3N5H43C76 (1)

Stoich.:

A3B5C43D76 (1)

Weight, g/mol:

1074.331839

ΔHf, kcal/mol:

290.93

Dipole, Da:

2.52

IP(EA), eV:

 -8.23(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC(=NC(=N5)C6=CC=C(C=C6)N7C8=C(C9=CC=CC=C97)C1=C(C=C8)OC2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)OC2=CC=CC=C21)C=CC1=C3C2=CC=CC=C2O1

DOS

IR

Vibrations