Geometry & MOs

Info

ID:	41186
PubChem CID:	8145419
Reduced:	FSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	306.131446
ΔH_f, kcal/mol:	31.21
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775687
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylimidazole-2-thione

Drug info:

PubChemData

Smile

CN1C=CN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations