Geometry & MOs

Info

ID:	13609
PubChem CID:	395927
Reduced:	ClOH7N8C16 (1)
Stoich.:	ABC7D8E16 (1)
Weight, g/mol:	362.043135
ΔH_f, kcal/mol:	191.31
Dipole, Da:	9.78
IP(EA), eV:	-9.83(-2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,9,12-pentaene-5,12-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=O)N=C3C2=C4N=NC(=C(N4N3)N)C#N)C#N)Cl

DOS

IR

Vibrations