Geometry & MOs

Info

ID:	64723
PubChem CID:	29203910
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	328.158706
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	5.63
IP(EA), eV:	-8.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methoxy-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations