Geometry & MOs

Info

ID:

314567

PubChem CID:

126622203

Reduced:

BrNZnH7C8 (1)

Stoich.:

ABCD7E8 (1)

Weight, g/mol:

258.100442

ΔHf, kcal/mol:

84.22

Dipole, Da:

4.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.112216

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-4-oxido-10-aza-4-azoniatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6,13-tetraen-9-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[CH-]C#N.[Zn].Br

DOS

IR

Vibrations