Geometry & MOs

Info

ID:	159139
PubChem CID:	57260822
Reduced:	Br2O3C5H6 (1)
Stoich.:	A2B3C5D6 (1)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	4.26
IP(EA), eV:	-11.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-oct-1-enylbutanedioate

Drug info:

PubChemData

Smile

C(C1C(OC(=O)O1)CBr)Br

DOS

IR

Vibrations