Geometry & MOs

Info

ID:	340492
PubChem CID:	127262503
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	-60.61
Dipole, Da:	5.12
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-5-oxopyrrolidin-2-yl) piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)OCC2=CC=C(C=C2)C(=O)C3=CSC=C3

DOS

IR

Vibrations