Geometry & MOs

Info

ID:	22334
PubChem CID:	596754
Reduced:	BrH5N6C11 (1)
Stoich.:	AB5C6D11 (1)
Weight, g/mol:	299.97591
ΔH_f, kcal/mol:	205.67
Dipole, Da:	8.09
IP(EA), eV:	-9.65(-3.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-11,12,13,14,15,17-hexazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,4,6,8,10,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC(=CC2=CC3=NC4=NN=NN4N=C3C=C21)Br

DOS

IR

Vibrations