Geometry & MOs

Info

ID:	352407
PubChem CID:	127283494
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	10.05
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-(1-propanoylpiperidine-3-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CS2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations