Geometry & MOs

Info

ID:	412868
PubChem CID:	135085797
Reduced:	SBr2O2H6C9 (1)
Stoich.:	AB2C2D6E9 (1)
Weight, g/mol:	246.01537
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	2.7
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chlorozinc(1+);2-ethynyl-1,3,3-trimethylcyclohexene

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C=C(Br)Br)S

DOS

IR

Vibrations