Geometry & MOs

Info

ID:	21548
PubChem CID:	588890
Reduced:	OSN3C23H31 (1)
Stoich.:	ABC3D23E31 (1)
Weight, g/mol:	397.218784
ΔH_f, kcal/mol:	5.87
Dipole, Da:	3.0
IP(EA), eV:	-8.17(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(4-phenylpiperazin-1-yl)phenoxy]butyl]-1,3-thiazolidine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C3=CC(=CC=C3)OCCCCN4CCSC4

DOS

IR

Vibrations