Geometry & MOs

Info

ID:	151609
PubChem CID:	55161639
Reduced:	BrN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	29.84
Dipole, Da:	5.27
IP(EA), eV:	-8.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=CC2=CC=CC=C21)C(C)Br

DOS

IR

Vibrations