Geometry & MOs

Info

ID:

431599

PubChem CID:

135171687

Reduced:

N2O3H34C60 (1)

Stoich.:

A2B3C34D60 (1)

Weight, g/mol:

740.246378

ΔHf, kcal/mol:

187.86

Dipole, Da:

5.44

IP(EA), eV:

 -8.14(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)carbazol-3-yl]-9-(3-phenylphenyl)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=CC=CC=C98)C1=CC3=C(C4=CC=CC=C4O3)C3=C1OC1=CC=CC=C13)C1=CC=CC=C12

DOS

IR

Vibrations