Geometry & MOs

Info

ID:	173602
PubChem CID:	75660161
Reduced:	ON2C23H35 (1)
Stoich.:	AB2C23D35 (1)
Weight, g/mol:	375.220316
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753200
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CCCC2)C[NH+]3CCCC(C3)CN4CCCC4=O

DOS

IR

Vibrations