Geometry & MOs

Info

ID:	71622
PubChem CID:	48415122
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	30.48
Dipole, Da:	3.89
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations