Geometry & MOs

Info

ID:	71324
PubChem CID:	48414625
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	359.085911
ΔH_f, kcal/mol:	47.08
Dipole, Da:	2.39
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations