Geometry & MOs

Info

ID:	28704
PubChem CID:	829057
Reduced:	NO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	4.01
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)OC

DOS

IR

Vibrations