Geometry & MOs

Info

ID:	371695
PubChem CID:	131270636
Reduced:	BrOSN2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	224.13472
ΔH_f, kcal/mol:	25.04
Dipole, Da:	3.31
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine

Drug info:

PubChemData

Smile

C1COCCN1C(CC#N)C2=CC=C(S2)Br

DOS

IR

Vibrations