Geometry & MOs

Info

ID:	294645
PubChem CID:	117478554
Reduced:	BrO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	296.04119
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	1.88
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-prop-1-en-2-ylphenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCC2=C1C3(CC3)O)Br

DOS

IR

Vibrations