Geometry & MOs

Info

ID:	71478
PubChem CID:	48414935
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	93.89
Dipole, Da:	4.98
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C3N=CC=CN3N=C2

DOS

IR

Vibrations