Geometry & MOs

Info

ID:	271389
PubChem CID:	103673099
Reduced:	NSBr2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	4.81
IP(EA), eV:	-9.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-bromothiophen-2-yl)methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=C(SC(=C1)Br)Br

DOS

IR

Vibrations