Geometry & MOs

Info

ID:	71704
PubChem CID:	48415238
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	3.76
IP(EA), eV:	-8.8(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COCCOC2=CC=CC=C2

DOS

IR

Vibrations