Geometry & MOs

Info

ID:	204817
PubChem CID:	80013094
Reduced:	FSN2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	310.187898
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	1.52
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]butane-1-thiol

Drug info:

PubChemData

Smile

C1CCC(C1)(CN2CCN(CC2)C3=CC=CC=C3F)CS

DOS

IR

Vibrations