Geometry & MOs

Info

ID:	411013
PubChem CID:	135083818
Reduced:	BrO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	220.165073
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	2.82
IP(EA), eV:	-9.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(Z,3R)-1-(5,5-dimethyl-1,3-dioxan-2-yl)hex-4-en-3-olate

Drug info:

PubChemData

Smile

CCC(CCBr)O/C=C/C(=O)OC

DOS

IR

Vibrations