Geometry & MOs

Info

ID:	288349
PubChem CID:	104315208
Reduced:	Br2O2N3H11C13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	414.9354
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	3.89
IP(EA), eV:	-9.26(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dibromopyridin-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=C(C=C(C=N2)Br)Br)C)CC(=O)O

DOS

IR

Vibrations