Geometry & MOs

Info

ID:	372088
PubChem CID:	131293107
Reduced:	SN2O2C8H8 (1)
Stoich.:	AB2C2D8E8 (1)
Weight, g/mol:	230.064447
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	2.48
IP(EA), eV:	-8.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-methylthiophen-3-yl)methyl]piperazine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(N1)C=CS2)N

DOS

IR

Vibrations