Geometry & MOs

Info

ID:

1754

PubChem CID:

4991

Reduced:

N2O2C9H13 (1)

Stoich.:

A2B2C9D13 (1)

Weight, g/mol:

181.097703

ΔHf, kcal/mol:

-51.0

Dipole, Da:

1.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.918332

Charge, e:

 1

Chem-info

IUPAC name:

(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)OC(=O)N(C)C

DOS

IR

Vibrations