Geometry & MOs

Info

ID:	71223
PubChem CID:	48414476
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	63.83
Dipole, Da:	3.8
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations