Geometry & MOs

Info

ID:

377651

PubChem CID:

134223715

Reduced:

ON2H42C67 (1)

Stoich.:

AB2C42D67 (1)

Weight, g/mol:

818.268176

ΔHf, kcal/mol:

248.67

Dipole, Da:

1.48

IP(EA), eV:

 -8.07(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=C(C=C6)C7=C8C=CC=C9C8=C(C=C7)C1=CC=CC=C19)C=CC(=C5)C1=CC2=C(C=C1)OC1=C2C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations