Geometry & MOs

Info

ID:	158855
PubChem CID:	57244092
Reduced:	SN4O4C19H24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	346.160518
ΔH_f, kcal/mol:	-82.59
Dipole, Da:	6.2
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC(=CC(=C2)OCCN(C(=N)N)N=C)C

DOS

IR

Vibrations