Geometry & MOs

Info

ID:	412702
PubChem CID:	135085616
Reduced:	BrOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	214.027574
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	2.09
IP(EA), eV:	-8.89(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(3R)-hept-4-yn-3-yl] sulfate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CO2)CCCBr

DOS

IR

Vibrations