Geometry & MOs

Info

ID:	372610
PubChem CID:	131300772
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	224.098334
ΔH_f, kcal/mol:	-27.02
Dipole, Da:	4.22
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-dimethylpyrazol-4-yl)ethyl]thiolan-3-one

Drug info:

PubChemData

Smile

C1CCNC(C1)CC(=O)NC2=CC=CS2

DOS

IR

Vibrations