Geometry & MOs

Info

ID:

377285

PubChem CID:

134223333

Reduced:

NOH15C26 (2)

Stoich.:

ABC15D26 (2)

Weight, g/mol:

714.230728

ΔHf, kcal/mol:

174.46

Dipole, Da:

1.81

IP(EA), eV:

 -8.01(-0.9)

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[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene

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=CC3=C(C=C12)OC1=C3C2=CC=CC=C2C=C1

DOS

IR

Vibrations