Geometry & MOs

Info

ID:	41377
PubChem CID:	8145751
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	323.10972
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	3.66
IP(EA), eV:	-9.43(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)COC(=O)[C@@H]2CC(=O)N(C2)CCC3=CC=CC=C3

DOS

IR

Vibrations