Geometry & MOs

Info

ID:

14110

PubChem CID:

404650

Reduced:

Br2N3H8C11 (1)

Stoich.:

A2B3C8D11 (1)

Weight, g/mol:

341.90645

ΔHf, kcal/mol:

90.97

Dipole, Da:

2.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.422787

Charge, e:

 1

Chem-info

IUPAC name:

5,13-dibromo-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(10),4,6,8,11,13-hexaene

Drug info:

PubChemData

Smile

C1N2C=C(C=CC2=NC3=[N+]1C=C(C=C3)Br)Br

DOS

IR

Vibrations