Geometry & MOs

Info

ID:

316418

PubChem CID:

126630886

Reduced:

NO3C22H27 (1)

Stoich.:

AB3C22D27 (1)

Weight, g/mol:

1123.35224

ΔHf, kcal/mol:

-109.79

Dipole, Da:

0.99

IP(EA), eV:

 -9.06(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C=CC(=C2)/C=C/C3CCOC(C3)(C)C)C=C1)OC(=O)C

DOS

IR

Vibrations