Geometry & MOs

Info

ID:

13608

PubChem CID:

395926

Reduced:

ClON6H11C23 (1)

Stoich.:

ABC6D11E23 (1)

Weight, g/mol:

422.068287

ΔHf, kcal/mol:

185.64

Dipole, Da:

15.84

IP(EA), eV:

 -9.32(-2.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(4-chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4,7,9,11,14,16,18,20-nonaene-7-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=NC4=C5C(=C(C(=O)N=C5NN34)C#N)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations