Geometry & MOs

Info

ID:	341874
PubChem CID:	127264567
Reduced:	BrNO3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	246.140199
ΔH_f, kcal/mol:	-115.91
Dipole, Da:	3.86
IP(EA), eV:	-10.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(methylsulfanylmethyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CC(=O)C(C1=O)C(=O)CCBr

DOS

IR

Vibrations