Geometry & MOs

Info

ID:	426114
PubChem CID:	135139787
Reduced:	N3O5C29H40 (1)
Stoich.:	A3B5C29D40 (1)
Weight, g/mol:	260.201439
ΔH_f, kcal/mol:	-140.66
Dipole, Da:	1.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761356
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[(4-methylphenyl)methoxy]ethyl]-1-azoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCCC[N+]23CCC(CC2)CC3)OC)NCCC4=C5C(=CC(=C4)O)NC(=O)CO5

DOS

IR

Vibrations