Geometry & MOs

Info

ID:	41185
PubChem CID:	8145418
Reduced:	FON2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	307.139271
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	2.21
IP(EA), eV:	-8.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations