Geometry & MOs

Info

ID:	289691
PubChem CID:	104367477
Reduced:	OS2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	306.083827
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	4.08
IP(EA), eV:	-8.83(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)piperazin-1-yl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)SC2=CSC(=C2)C=O

DOS

IR

Vibrations