Geometry & MOs

Info

ID:	184707
PubChem CID:	77195027
Reduced:	Cl2O2N5C16H25 (1)
Stoich.:	A2B2C5D16E25 (1)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	3.79
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenylpyrazolidin-4-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1N)CC2CCN3C(=O)C=CC4=C3N2C(=O)CN4.Cl.Cl

DOS

IR

Vibrations