Geometry & MOs

Info

ID:

14610

PubChem CID:

416042

Reduced:

NO2C10H16 (1)

Stoich.:

AB2C10D16 (1)

Weight, g/mol:

182.118104

ΔHf, kcal/mol:

-58.84

Dipole, Da:

11.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756119

Charge, e:

 1

Chem-info

IUPAC name:

8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1C(=CC2)C(=O)O)C

DOS

IR

Vibrations