Geometry & MOs

Info

ID:	263999
PubChem CID:	103414168
Reduced:	OBr2N2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	479.81428
ΔH_f, kcal/mol:	29.76
Dipole, Da:	1.77
IP(EA), eV:	-8.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=CC(=C(C=C2Br)Br)OC)C#N

DOS

IR

Vibrations