Geometry & MOs

Info

ID:	294746
PubChem CID:	117487926
Reduced:	BrO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	302.01537
ΔH_f, kcal/mol:	-149.47
Dipole, Da:	6.6
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C(C)C(=O)O)Br)OC)OC

DOS

IR

Vibrations