Geometry & MOs

Info

ID:	40362
PubChem CID:	8143993
Reduced:	NSO3H13C20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	289.148693
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	4.09
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2/C=C/3\C(=O)N/C(=C\C(=O)C4=CC=CO4)/S3

DOS

IR

Vibrations