Geometry & MOs

Info

ID:

377284

PubChem CID:

134223332

Reduced:

O2N3H39C66 (1)

Stoich.:

A2B3C39D66 (1)

Weight, g/mol:

714.230728

ΔHf, kcal/mol:

241.42

Dipole, Da:

1.59

IP(EA), eV:

 -7.97(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)OC6=C5C=C7C(=C6)N(C8=C7C=C(C=C8)C9=CC1=C(C=C9)N(C3=C1C=C1C4=CC=CC=C4OC1=C3)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations