Geometry & MOs

Info

ID:	71615
PubChem CID:	48415114
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	50.21
Dipole, Da:	2.67
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-thiophen-2-ylbutane-1,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations