Geometry & MOs

Info

ID:	71517
PubChem CID:	48414985
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	318.176585
ΔH_f, kcal/mol:	28.06
Dipole, Da:	3.08
IP(EA), eV:	-8.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

DOS

IR

Vibrations