Geometry & MOs

Info

ID:	192097
PubChem CID:	78228154
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	419.177982
ΔH_f, kcal/mol:	-171.93
Dipole, Da:	4.88
IP(EA), eV:	-9.06(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylpiperazin-1-yl)-5-[(3-phenylpyrazolidin-4-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

COC1CCC2C(C1)CC(C(=O)N2)CN(C3=CC=CC=C3)C(=O)C4CCCO4

DOS

IR

Vibrations