Geometry & MOs

Info

ID:	173601
PubChem CID:	75659659
Reduced:	FON4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	355.274939
ΔH_f, kcal/mol:	-21.9
Dipole, Da:	0.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021272
Charge, e:	1

Chem-info

IUPAC name:

1-[[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-1-ium-3-yl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)C[NH+]2C3CCC2CC(C3)(C4=CC=C(C=C4)F)O

DOS

IR

Vibrations