Geometry & MOs

Info

ID:

164875

PubChem CID:

74464763

Reduced:

PN5O6C10H11 (1)

Stoich.:

AB5C6D10E11 (1)

Weight, g/mol:

206.118104

ΔHf, kcal/mol:

-188.29

Dipole, Da:

9.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.832172

Charge, e:

 1

Chem-info

IUPAC name:

2-(furan-2-ylmethylidene)-1-azoniabicyclo[2.2.2]octan-3-ol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)[O-])N

DOS

IR

Vibrations