Geometry & MOs

Info

ID:	40816
PubChem CID:	8144747
Reduced:	SN4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	370.249452
ΔH_f, kcal/mol:	42.06
Dipole, Da:	4.47
IP(EA), eV:	-8.11(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2=NN(C(=S)N2CC1)CN3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations