Geometry & MOs

Info

ID:	23610
PubChem CID:	605104
Reduced:	SN3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	361.161269
ΔH_f, kcal/mol:	100.37
Dipole, Da:	1.74
IP(EA), eV:	-8.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations