Geometry & MOs

Info

ID:

12304

PubChem CID:

134391

Reduced:

ON2C9H11 (1)

Stoich.:

AB2C9D11 (1)

Weight, g/mol:

163.087138

ΔHf, kcal/mol:

50.76

Dipole, Da:

1.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.031221

Charge, e:

 1

Chem-info

IUPAC name:

N-[(1-prop-2-enylpyridin-1-ium-2-yl)methylidene]hydroxylamine

Drug info:

PubChemData

Smile

C=CC[N+]1=CC=CC=C1C=NO

DOS

IR

Vibrations