Geometry & MOs

Info

ID:	265474
PubChem CID:	103524109
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	302.01537
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	2.31
IP(EA), eV:	-8.71(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCNCC/C=C/C1=C(C(=C(C=C1)OC)Br)OC

DOS

IR

Vibrations