Geometry & MOs

Info

ID:

9309

PubChem CID:

87846

Reduced:

N2O2C13H15 (1)

Stoich.:

A2B2C13D15 (1)

Weight, g/mol:

231.113353

ΔHf, kcal/mol:

-39.01

Dipole, Da:

2.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.081317

Charge, e:

 1

Chem-info

IUPAC name:

(1-methylquinolin-1-ium-7-yl) N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1C=C(C=C2)OC(=O)N(C)C

DOS

IR

Vibrations