Geometry & MOs

Info

ID:

14809

PubChem CID:

421062

Reduced:

NOC10H20 (1)

Stoich.:

ABC10D20 (1)

Weight, g/mol:

170.154489

ΔHf, kcal/mol:

-44.15

Dipole, Da:

2.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755306

Charge, e:

 1

Chem-info

IUPAC name:

7,7-dimethyl-7-azoniabicyclo[4.2.1]nonan-9-ol

Drug info:

PubChemData

Smile

C[N+]1(CC2CCCCC1C2O)C

DOS

IR

Vibrations