Geometry & MOs

Info

ID:	249332
PubChem CID:	103088665
Reduced:	FNSCl2O3C11H14 (1)
Stoich.:	ABCD2E3F11G14 (1)
Weight, g/mol:	311.183147
ΔH_f, kcal/mol:	-174.11
Dipole, Da:	4.82
IP(EA), eV:	-9.75(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylsulfanylpentan-1-amine

Drug info:

PubChemData

Smile

CCN(CCCO)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations