Geometry & MOs

Info

ID:	294878
PubChem CID:	117501954
Reduced:	BrNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	316.09806
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	0.64
IP(EA), eV:	-8.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,6-dimethoxy-2-methylsulfonylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C(=C1)C(C)CCN)Br)OC

DOS

IR

Vibrations