Geometry & MOs

Info

ID:	298162
PubChem CID:	117647849
Reduced:	OBr2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	1.91
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyloxolan-3-yl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCC2=C1C3=CC(=CC4=C3CCCC4)Br)Br

DOS

IR

Vibrations