Geometry & MOs

Info

ID:

51181

PubChem CID:

12013816

Reduced:

BrN2O2H10C11 (1)

Stoich.:

AB2C2D10E11 (1)

Weight, g/mol:

230.105528

ΔHf, kcal/mol:

25.82

Dipole, Da:

5.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763535

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-diazonio-1-[(E)-5-phenylpent-2-enoxy]ethenolate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/CO/C(=C/[N+]#N)/O)Br

DOS

IR

Vibrations