Geometry & MOs

Info

ID:	165595
PubChem CID:	74573778
Reduced:	N2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	253.110766
ΔH_f, kcal/mol:	52.83
Dipole, Da:	3.49
IP(EA), eV:	-8.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(1-azoniabicyclo[2.2.2]octan-3-yloxy)-3-chloroaniline

Drug info:

PubChemData

Smile

CN1C(CCN1)NCC2=CC=CC=N2

DOS

IR

Vibrations