Geometry & MOs

Info

ID:	71320
PubChem CID:	48414620
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	345.096955
ΔH_f, kcal/mol:	34.17
Dipole, Da:	5.13
IP(EA), eV:	-8.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations