Geometry & MOs

Info

ID:	71357
PubChem CID:	48414677
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	373.101561
ΔH_f, kcal/mol:	60.66
Dipole, Da:	5.6
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations