Geometry & MOs

Info

ID:	369482
PubChem CID:	127334196
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	3.42
IP(EA), eV:	-9.12(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[4-(oxan-4-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)C3=CN=NS3

DOS

IR

Vibrations