Geometry & MOs

Info

ID:	164761
PubChem CID:	74449277
Reduced:	OSN4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	296.197417
ΔH_f, kcal/mol:	55.95
Dipole, Da:	2.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.213555
Charge, e:	1

Chem-info

IUPAC name:

3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CN2C(=S)[NH+]3C=CC=CC3=N2

DOS

IR

Vibrations