Geometry & MOs

Info

ID:	148490
PubChem CID:	53788153
Reduced:	BrN4H5C6 (1)
Stoich.:	AB4C5D6 (1)
Weight, g/mol:	299.047696
ΔH_f, kcal/mol:	102.12
Dipole, Da:	1.51
IP(EA), eV:	-9.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,8,9,11-tetrazatricyclo[4.2.2.12,5]undeca-1(9),2(11),4,6(10),7-pentaen-4-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=C(NN=C1)N2C=C(C=N2)Br

DOS

IR

Vibrations