Geometry & MOs

Info

ID:

377335

PubChem CID:

134223383

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

162.98

Dipole, Da:

4.38

IP(EA), eV:

 -8.08(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C=CC8=C6C9=CC=CC=C9O8)C1=C2C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations