Geometry & MOs

Info

ID:

377606

PubChem CID:

134223668

Reduced:

N2O3H34C60 (1)

Stoich.:

A2B3C34D60 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

179.78

Dipole, Da:

2.03

IP(EA), eV:

 -8.2(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(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)OC6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=C8C=C1C3=CC=CC=C3OC1=C9)C1=CC=CC=C1)C1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations