Geometry & MOs

Info

ID:	27557
PubChem CID:	822126
Reduced:	BrO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	3.62
IP(EA), eV:	-10.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2Z)-2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

[C@H]12[C@@H]3C4C1([C@@H]5[C@H]4C3(C(C25)(O)O)Br)C(=O)O

DOS

IR

Vibrations