Geometry & MOs

Info

ID:

18089

PubChem CID:

537725

Reduced:

N2O2C7H13 (1)

Stoich.:

A2B2C7D13 (1)

Weight, g/mol:

157.097703

ΔHf, kcal/mol:

-34.92

Dipole, Da:

7.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765998

Charge, e:

 1

Chem-info

IUPAC name:

3-(3-methylbutyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

CC(C)CC[N+]1=CC(=O)ON1

DOS

IR

Vibrations