Geometry & MOs

Info

ID:	318483
PubChem CID:	126651495
Reduced:	BrNOC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	260.01604
ΔH_f, kcal/mol:	24.52
Dipole, Da:	3.0
IP(EA), eV:	-9.1(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromoprop-2-ynyl 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCC1N2CC(C2)C#CBr

DOS

IR

Vibrations