Geometry & MOs

Info

ID:	41260
PubChem CID:	8145551
Reduced:	FO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	357.154921
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	6.13
IP(EA), eV:	-8.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)N(C(=O)C2=O)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations