Geometry & MOs

Info

ID:

400986

PubChem CID:

135049626

Reduced:

ON2C5H7 (1)

Stoich.:

AB2C5D7 (1)

Weight, g/mol:

125.071488

ΔHf, kcal/mol:

26.36

Dipole, Da:

2.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.166907

Charge, e:

 1

Chem-info

IUPAC name:

(3Z,5Z)-6-hydroxyhexa-3,5-diene-3-diazonium

Drug info:

PubChemData

Smile

C/C(=C/C=C\O)/[N+]#N

DOS

IR

Vibrations