Geometry & MOs

Info

ID:

377674

PubChem CID:

134223738

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

818.304562

ΔHf, kcal/mol:

159.68

Dipole, Da:

2.47

IP(EA), eV:

 -8.0(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazol-10-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C8=CC=CC=C8OC7=C6)C9=CC=CC=C9)C1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations