Geometry & MOs

Info

ID:

144911

PubChem CID:

53430971

Reduced:

NH4C6 (3)

Stoich.:

AB4C6 (3)

Weight, g/mol:

364.056775

ΔHf, kcal/mol:

131.14

Dipole, Da:

2.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.616644

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[N+]C4=CC=CC=N4

DOS

IR

Vibrations