Geometry & MOs

Info

ID:	379244
PubChem CID:	134356899
Reduced:	SO2N4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	196.078268
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	2.45
IP(EA), eV:	-8.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-sulfanylpiperazin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)N2CCN(CC2)S)OC

DOS

IR

Vibrations