Geometry & MOs

Info

ID:	198393
PubChem CID:	79094737
Reduced:	ClSN2O2C11H11 (1)
Stoich.:	ABC2D2E11F11 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	6.45
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylpiperazin-1-yl)-(5-ethylfuran-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC2=NC(=CS2)CCl

DOS

IR

Vibrations