Geometry & MOs

Info

ID:	130230
PubChem CID:	51075328
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	346.126361
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	3.07
IP(EA), eV:	-8.68(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)CN2C=CC=N2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations