Geometry & MOs

Info

ID:

6144

PubChem CID:

67190

Reduced:

NO2H9C18 (2)

Stoich.:

AB2C9D18 (2)

Weight, g/mol:

542.126657

ΔHf, kcal/mol:

-10.8

Dipole, Da:

0.09

IP(EA), eV:

 -9.39(-2.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,18-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC=CC=C9)C2=O

DOS

IR

Vibrations