Geometry & MOs

Info

ID:	40417
PubChem CID:	8144086
Reduced:	Cl2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	399.276001
ΔH_f, kcal/mol:	-67.32
Dipole, Da:	7.66
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-tert-butyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC=CC=C1OC)/CC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations