Geometry & MOs

Info

ID:

377402

PubChem CID:

134223453

Reduced:

N2O2H38C67 (1)

Stoich.:

A2B2C38D67 (1)

Weight, g/mol:

678.230728

ΔHf, kcal/mol:

243.13

Dipole, Da:

2.55

IP(EA), eV:

 -8.1(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-7-phenyl-10-(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=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations