Geometry & MOs

Info

ID:	248696
PubChem CID:	103083702
Reduced:	BrO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	306.00039
ΔH_f, kcal/mol:	-200.25
Dipole, Da:	4.34
IP(EA), eV:	-9.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-methylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C1=C(C=C(C=C1)Br)C)C(=O)OCC

DOS

IR

Vibrations