Geometry & MOs

Info

ID:	71365
PubChem CID:	48414689
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	61.42
Dipole, Da:	3.09
IP(EA), eV:	-8.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations