Geometry & MOs

Info

ID:	174982
PubChem CID:	75841663
Reduced:	OS2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	424.300225
ΔH_f, kcal/mol:	26.42
Dipole, Da:	9.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.982993
Charge, e:	2

Chem-info

IUPAC name:

9-[(4-fluorophenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-2-aza-9-azoniaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCSC1=NC(=CS1)CC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

DOS

IR

Vibrations